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

C5H8N4O — CID 135406810

IUPAC4,5-diamino-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-2-8-4(7)3(6)5(10)9-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyZYTSUWIWLUKHJR-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.76
Rot. Bonds

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

4,5-diamino-2-methyl-1H-pyrimidin-6-one (PubChem CID 135406810) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 4,5-diamino-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-methyl-1H-pyrimidin-6-one
PubChem CID135406810
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name4,5-diamino-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-2-8-4(7)3(6)5(10)9-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyZYTSUWIWLUKHJR-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 4,5-diamino-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-methyl-1H-pyrimidin-6-one (CID 135406810) is 4,5-diamino-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 4,5-diamino-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZYTSUWIWLUKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-8-4(7)3(6)5(10)9-2/h6H2,1H3,(H3,7,8,9,10).
What are the key properties of 4,5-diamino-2-methyl-1H-pyrimidin-6-one?
4,5-diamino-2-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 4,5-diamino-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135406810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).