3,4-diamino-5,6-dimethyl-1H-pyridin-2-one

C7H11N3O — CID 15195064

IUPAC3,4-diamino-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)c(N)c1C
InChIInChI=1S/C7H11N3O/c1-3-4(2)10-7(11)6(9)5(3)8/h9H2,1-2H3,(H3,8,10,11)
InChIKeyRDVRFDQZQCDIMS-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.16
Rot. Bonds

About 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one

3,4-diamino-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 15195064) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-diamino-5,6-dimethyl-1H-pyridin-2-one
PubChem CID15195064
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3,4-diamino-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)c(N)c1C
InChIInChI=1S/C7H11N3O/c1-3-4(2)10-7(11)6(9)5(3)8/h9H2,1-2H3,(H3,8,10,11)
InChIKeyRDVRFDQZQCDIMS-UHFFFAOYSA-N
XLogP0.16
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one (CID 15195064) is 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(N)c(N)c1C.
What is the InChIKey of 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is RDVRFDQZQCDIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-4(2)10-7(11)6(9)5(3)8/h9H2,1-2H3,(H3,8,10,11).
What are the key properties of 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one?
3,4-diamino-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 15195064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).