2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one

C21H19N5O2 — CID 3233442

IUPAC2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(Nc4ccccc4)nc32)c1
InChIInChI=1S/C21H19N5O2/c1-14-20(27)26(13-15-7-6-10-17(11-15)28-2)19-18(23-14)12-22-21(25-19)24-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,22,24,25)
InChIKeyRWOVMTVXVROTLZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.30
Rot. Bonds5

About 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one

2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one (PubChem CID 3233442) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one.

Molecular Properties

Compound Name2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one
PubChem CID3233442
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(Nc4ccccc4)nc32)c1
InChIInChI=1S/C21H19N5O2/c1-14-20(27)26(13-15-7-6-10-17(11-15)28-2)19-18(23-14)12-22-21(25-19)24-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,22,24,25)
InChIKeyRWOVMTVXVROTLZ-UHFFFAOYSA-N
XLogP3.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-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

Lexibulin
CID 11351021
Zotiraciclib
CID 16739650
1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CID 9893095
5-(3-Methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxo-1,2-dihydro-1,6-naphthyridine
CID 135418404
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
2-[(4-Methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one
CID 145714280
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
2,4-Disubstituted Pyrimidine 2g
CID 5329420
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
The IUPAC name of 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one (CID 3233442) is 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one.
What is the SMILES notation for 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
The canonical SMILES for 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one is COc1cccc(Cn2c(=O)c(C)nc3cnc(Nc4ccccc4)nc32)c1.
What is the InChIKey of 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
The InChIKey is RWOVMTVXVROTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-20(27)26(13-15-7-6-10-17(11-15)28-2)19-18(23-14)12-22-21(25-19)24-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,22,24,25).
What are the key properties of 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one?
2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one has a molecular weight of 373.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one is sourced from PubChem (CID 3233442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).