8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one

C19H22N6O2 — CID 3232709

IUPAC8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)c1
InChIInChI=1S/C19H22N6O2/c1-13-18(26)25(12-14-4-3-5-15(10-14)27-2)17-16(22-13)11-21-19(23-17)24-8-6-20-7-9-24/h3-5,10-11,20H,6-9,12H2,1-2H3
InChIKeyNEWJCTCRVUBZNM-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.96
Rot. Bonds4

About 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one

8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3232709) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3232709
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)c1
InChIInChI=1S/C19H22N6O2/c1-13-18(26)25(12-14-4-3-5-15(10-14)27-2)17-16(22-13)11-21-19(23-17)24-8-6-20-7-9-24/h3-5,10-11,20H,6-9,12H2,1-2H3
InChIKeyNEWJCTCRVUBZNM-UHFFFAOYSA-N
XLogP0.96
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-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
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
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267764
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
4-[Butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768330
N-butyl-N-ethyl-8-(4-methoxy-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydropteridin-4-amine
CID 24768331
4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328088
2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 16115231
2-[3-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one;hydrochloride
CID 137651411

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one (CID 3232709) is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one is COc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is NEWJCTCRVUBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-18(26)25(12-14-4-3-5-15(10-14)27-2)17-16(22-13)11-21-19(23-17)24-8-6-20-7-9-24/h3-5,10-11,20H,6-9,12H2,1-2H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one?
8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 366.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3232709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).