2,5-diamino-4-methyl-1H-pyrimidin-6-one

C5H8N4O — CID 135491050

IUPAC2,5-diamino-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C5H8N4O/c1-2-3(6)4(10)9-5(7)8-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyLPVDSAMLQSSLPJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.76
Rot. Bonds

About 2,5-diamino-4-methyl-1H-pyrimidin-6-one

2,5-diamino-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491050) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2,5-diamino-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-methyl-1H-pyrimidin-6-one
PubChem CID135491050
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2,5-diamino-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C5H8N4O/c1-2-3(6)4(10)9-5(7)8-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyLPVDSAMLQSSLPJ-UHFFFAOYSA-N
XLogP-0.76
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-methyl-1H-pyrimidin-6-one (CID 135491050) is 2,5-diamino-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LPVDSAMLQSSLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-3(6)4(10)9-5(7)8-2/h6H2,1H3,(H3,7,8,9,10).
What are the key properties of 2,5-diamino-4-methyl-1H-pyrimidin-6-one?
2,5-diamino-4-methyl-1H-pyrimidin-6-one has a molecular weight of 140.15 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).