3,5-diamino-6-methyl-1H-pyridin-2-one

C6H9N3O — CID 105428033

IUPAC3,5-diamino-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)cc1N
InChIInChI=1S/C6H9N3O/c1-3-4(7)2-5(8)6(10)9-3/h2H,7-8H2,1H3,(H,9,10)
InChIKeyLCWMCWWTFQZVEC-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.15
Rot. Bonds

About 3,5-diamino-6-methyl-1H-pyridin-2-one

3,5-diamino-6-methyl-1H-pyridin-2-one (PubChem CID 105428033) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3,5-diamino-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-diamino-6-methyl-1H-pyridin-2-one
PubChem CID105428033
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3,5-diamino-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)cc1N
InChIInChI=1S/C6H9N3O/c1-3-4(7)2-5(8)6(10)9-3/h2H,7-8H2,1H3,(H,9,10)
InChIKeyLCWMCWWTFQZVEC-UHFFFAOYSA-N
XLogP-0.15
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3,5-diamino-6-methyl-1H-pyridin-2-one (CID 105428033) is 3,5-diamino-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3,5-diamino-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3,5-diamino-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(N)cc1N.
What is the InChIKey of 3,5-diamino-6-methyl-1H-pyridin-2-one?
The InChIKey is LCWMCWWTFQZVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-4(7)2-5(8)6(10)9-3/h2H,7-8H2,1H3,(H,9,10).
What are the key properties of 3,5-diamino-6-methyl-1H-pyridin-2-one?
3,5-diamino-6-methyl-1H-pyridin-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 105428033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).