6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one

C19H16N6O2 — CID 58093835

IUPAC6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1ccc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)cc1O
InChIInChI=1S/C19H16N6O2/c1-10-2-3-13(7-15(10)26)24-17-16-11(4-5-21-18(16)27)6-14(25-17)12-8-22-19(20)23-9-12/h2-9,26H,1H3,(H,21,27)(H,24,25)(H2,20,22,23)
InChIKeyPJVZZSUGFBKWNJ-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.72
Rot. Bonds3

About 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one

6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58093835) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58093835
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one
SMILESCc1ccc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)cc1O
InChIInChI=1S/C19H16N6O2/c1-10-2-3-13(7-15(10)26)24-17-16-11(4-5-21-18(16)27)6-14(25-17)12-8-22-19(20)23-9-12/h2-9,26H,1H3,(H,21,27)(H,24,25)(H2,20,22,23)
InChIKeyPJVZZSUGFBKWNJ-UHFFFAOYSA-N
XLogP2.72
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lck inhibitor 2
CID 25138012
2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide
CID 16058637
2-({2-[(3-Hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647251
2-({2-[(3-Hydroxy-2-methylphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647259
2-({5-Fluoro-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647270
3-({4-[(3-Hydroxyphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138013
3-({4-[(3-Hydroxy-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138014
3-((4-((3-Hydroxy-4-methylphenyl)amino)pyrimidin-2-yl)amino)benzamide
CID 25138015
3-[(4-{[5-Hydroxy-2-(propan-2-yl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
CID 25138017
2,4-Bisanilinopyrimidine, 47
CID 44224069
2,4-Bisanilinopyrimidine, 37
CID 44224092
CID 155514901
CID 155514901

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one (CID 58093835) is 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one is Cc1ccc(Nc2nc(-c3cnc(N)nc3)cc3cc[nH]c(=O)c23)cc1O.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is PJVZZSUGFBKWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-10-2-3-13(7-15(10)26)24-17-16-11(4-5-21-18(16)27)6-14(25-17)12-8-22-19(20)23-9-12/h2-9,26H,1H3,(H,21,27)(H,24,25)(H2,20,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one?
6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 360.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-8-(3-hydroxy-4-methylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).