DPCPX

C₁₆H₂₄N₄O₂CAS 102146-07-6304.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₄N₄O₂
Molar mass: 304.39 g/mol
Exact mass: 304.1899 Da
Melting point: 199–200 °C
logP: 2.36Crippen estimate
Polar surface area: 72.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

102146-07-6

SMILES

CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCC)c1=O

InChIKey

FFBDFADSZUINTG-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)

Weigh it out

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

Names and synonyms

7 names

1H-Purine-2,6-dione, 8-cyclopentyl-3,9-dihydro-1,3-dipropyl-
1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dipropyl-
8-Cyclopentyl-3,9-dihydro-1,3-dipropyl-1H-purine-2,6-dione
PD 116948
8-Cyclopentyl-1,3-dipropylxanthine
1,3-Dipropyl-8-cyclopentylxanthine
CPX

Work with DPCPX

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

Similar compounds

1,3-Dipropyl-7-methylxanthine31542-63-936 % similar 8-Chlorotheophylline85-18-732 % similar 6-Amino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione41862-14-030 % similar Ici-6319727277-00-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook