8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one

C12H9N5O — CID 58094010

IUPAC8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESNc1nc(-c2cncnc2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C12H9N5O/c13-11-10-7(1-2-16-12(10)18)3-9(17-11)8-4-14-6-15-5-8/h1-6H,(H2,13,17)(H,16,18)
InChIKeyLTYLJFDCEDKSNX-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.96
Rot. Bonds1

About 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one

8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (PubChem CID 58094010) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
PubChem CID58094010
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
SMILESNc1nc(-c2cncnc2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C12H9N5O/c13-11-10-7(1-2-16-12(10)18)3-9(17-11)8-4-14-6-15-5-8/h1-6H,(H2,13,17)(H,16,18)
InChIKeyLTYLJFDCEDKSNX-UHFFFAOYSA-N
XLogP0.96
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 142785387
8-amino-6-methyl-2H-2,7-naphthyridin-1-one;ethane
CID 143841168
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084
N-methyl-3-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzenesulfonamide
CID 58094203
8-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58093747
8-[4-(2-morpholin-4-ylethyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094280
8-methyl-6-phenyl-2H-2,7-naphthyridin-1-one
CID 11948308
6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one
CID 58167367
6-(2-aminopyrimidin-5-yl)-8-(2-methylbutan-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58166594
6-(3,4-difluorophenyl)-8-methyl-2H-2,7-naphthyridin-1-one
CID 11959542
6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one
CID 58093697
6-chloro-8-(4-pyridin-3-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094086

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one (CID 58094010) is 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is Nc1nc(-c2cncnc2)cc2cc[nH]c(=O)c12.
What is the InChIKey of 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
The InChIKey is LTYLJFDCEDKSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c13-11-10-7(1-2-16-12(10)18)3-9(17-11)8-4-14-6-15-5-8/h1-6H,(H2,13,17)(H,16,18).
What are the key properties of 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one?
8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one has a molecular weight of 239.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).