8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one

C13H12N6O2 — CID 70791800

IUPAC8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one
SMILESCn1ccc2cc(Nc3nccc(=O)[nH]3)nc(N)c2c1=O
InChIInChI=1S/C13H12N6O2/c1-19-5-3-7-6-8(16-11(14)10(7)12(19)21)17-13-15-4-2-9(20)18-13/h2-6H,1H3,(H4,14,15,16,17,18,20)
InChIKeyLHTOTGDIXFUCBL-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.34
Rot. Bonds2

About 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one

8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one (PubChem CID 70791800) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one
PubChem CID70791800
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one
SMILESCn1ccc2cc(Nc3nccc(=O)[nH]3)nc(N)c2c1=O
InChIInChI=1S/C13H12N6O2/c1-19-5-3-7-6-8(16-11(14)10(7)12(19)21)17-13-15-4-2-9(20)18-13/h2-6H,1H3,(H4,14,15,16,17,18,20)
InChIKeyLHTOTGDIXFUCBL-UHFFFAOYSA-N
XLogP0.34
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 135440277

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one (CID 70791800) is 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one is Cn1ccc2cc(Nc3nccc(=O)[nH]3)nc(N)c2c1=O.
What is the InChIKey of 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one?
The InChIKey is LHTOTGDIXFUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-19-5-3-7-6-8(16-11(14)10(7)12(19)21)17-13-15-4-2-9(20)18-13/h2-6H,1H3,(H4,14,15,16,17,18,20).
What are the key properties of 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one?
8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one has a molecular weight of 284.28 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 70791800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).