2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride

C₇H₉ClN₆OCAS 73978-41-3228.64 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₇H₉ClN₆O
Molar mass: 228.64 g/mol
Exact mass: 228.0526 Da
Melting point: above 300 °C
logP: -0.67Crippen estimate
Polar surface area: 124.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

73978-41-3

SMILES

Cl.N=c1nc2ncc(CO)nc2c(N)[nH]1

InChIKey

XZHMPUJCSYVIQL-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

6-Pteridinemethanol, 2,4-diamino-, hydrochloride (1:1)
6-Pteridinemethanol, 2,4-diamino-, monohydrochloride
2,4-Diaminopyrimido[4,5-b]pyrazine-6-methanol monohydrochloride

Work with 2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4-Diamino-6-hydroxymethylpteridine945-24-4Free base

Similar compounds

Aminopterin54-62-640 % similar Methotrexate59-05-238 % similar 2,4-Diamino-6,7-diisopropylpteridine Phosphate84176-65-837 % similar Pralatrexate146464-95-137 % similar Sodium methotrexate7413-34-536 % similar 2-Aminoadenosine2096-10-834 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-734 % similar 2-Amino-2′-deoxyadenosine4546-70-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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