2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one

C7H11N5O — CID 137254535

IUPAC2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one
SMILESC=CN(C)c1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C7H11N5O/c1-3-12(2)5-4(8)6(13)11-7(9)10-5/h3H,1,8H2,2H3,(H3,9,10,11,13)
InChIKeyFYLLFXHZICMBCV-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.49
Rot. Bonds2

About 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one

2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 137254535) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID137254535
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one
SMILESC=CN(C)c1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C7H11N5O/c1-3-12(2)5-4(8)6(13)11-7(9)10-5/h3H,1,8H2,2H3,(H3,9,10,11,13)
InChIKeyFYLLFXHZICMBCV-UHFFFAOYSA-N
XLogP-0.49
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one (CID 137254535) is 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one is C=CN(C)c1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FYLLFXHZICMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-3-12(2)5-4(8)6(13)11-7(9)10-5/h3H,1,8H2,2H3,(H3,9,10,11,13).
What are the key properties of 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 181.20 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137254535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).