5,6-diamino-3-methylpyrimidin-4-one

C5H8N4O — CID 22949785

IUPAC5,6-diamino-3-methylpyrimidin-4-one
SMILESCn1cnc(N)c(N)c1=O
InChIInChI=1S/C5H8N4O/c1-9-2-8-4(7)3(6)5(9)10/h2H,6-7H2,1H3
InChIKeyWAJILKSCCAGEGD-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.06
Rot. Bonds

About 5,6-diamino-3-methylpyrimidin-4-one

5,6-diamino-3-methylpyrimidin-4-one (PubChem CID 22949785) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5,6-diamino-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-diamino-3-methylpyrimidin-4-one
PubChem CID22949785
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5,6-diamino-3-methylpyrimidin-4-one
SMILESCn1cnc(N)c(N)c1=O
InChIInChI=1S/C5H8N4O/c1-9-2-8-4(7)3(6)5(9)10/h2H,6-7H2,1H3
InChIKeyWAJILKSCCAGEGD-UHFFFAOYSA-N
XLogP-1.06
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-methylpyrimidin-4-one?
The IUPAC name of 5,6-diamino-3-methylpyrimidin-4-one (CID 22949785) is 5,6-diamino-3-methylpyrimidin-4-one.
What is the SMILES notation for 5,6-diamino-3-methylpyrimidin-4-one?
The canonical SMILES for 5,6-diamino-3-methylpyrimidin-4-one is Cn1cnc(N)c(N)c1=O.
What is the InChIKey of 5,6-diamino-3-methylpyrimidin-4-one?
The InChIKey is WAJILKSCCAGEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9-2-8-4(7)3(6)5(9)10/h2H,6-7H2,1H3.
What are the key properties of 5,6-diamino-3-methylpyrimidin-4-one?
5,6-diamino-3-methylpyrimidin-4-one has a molecular weight of 140.15 g/mol, XLogP of -1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-methylpyrimidin-4-one is sourced from PubChem (CID 22949785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).