chempirical

6-Amino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione

C10H17N3O2CAS 41862-14-0211.26 g/mol

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NH2NONO
Primary amine

Properties

Molecular formula
C10H17N3O2
Molar mass
211.26 g/mol
Exact mass
211.1321 Da
Melting point
136–138 °C
logP
0.41Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
41862-14-0
SMILES
CCCn1c(N)cc(=O)n(CCC)c1=O
InChIKey
WWYIZMBRAYKRFU-UHFFFAOYSA-N
InChI
InChI=1S/C10H17N3O2/c1-3-5-12-8(11)7-9(14)13(6-4-2)10(12)15/h7H,3-6,11H2,1-2H3

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Names and synonyms

2 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dipropyl-
  • 6-Amino-1,3-dipropyluracil

Work with 6-Amino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione

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

6-Amino-1,3-dimethyluracil6642-31-543 % similar 1,3-Dipropyl-7-methylxanthine31542-63-936 % similar

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

Elsewhere

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