8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one

C19H16N6O2 — CID 72712977

IUPAC8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one
SMILESCOc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
InChIInChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
InChIKeyHJHJLSAFDLUSPN-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.51
Rot. Bonds4

About 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one

8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one (PubChem CID 72712977) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one.

Molecular Properties

Compound Name8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one
PubChem CID72712977
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one
SMILESCOc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1
InChIInChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24)
InChIKeyHJHJLSAFDLUSPN-UHFFFAOYSA-N
XLogP2.51
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(4-methoxyanilino)-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 72713172
8-(4-aminophenyl)-2-[3-chloro-4-(4-methylpiperazin-1-yl)anilino]pteridin-7-one
CID 145360582
2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one
CID 3233184
4-[4-[4-[[8-(4-aminophenyl)-7-oxopteridin-2-yl]amino]-2-methoxyphenyl]piperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(4-piperazin-1-ylphenyl)pteridin-7-one
CID 145360592
2-N,9-bis(4-methoxyphenyl)-8-N-(2,4,6-trifluorophenyl)purine-2,8-diamine
CID 168843620
N-[4-[2-(4-chloroanilino)-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 72713175
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one
CID 165391315
N-[4-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]-1-methylsulfonylmethanesulfonamide
CID 24961912
7-(4-methoxyanilino)-3-(4-methoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 163679428
8-(4-aminophenyl)-5-ethynyl-2-(2-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 171547514
1-(4-methoxyphenyl)-N-(4-methylsulfanylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 24957876
8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
CID 175835407

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one?
The IUPAC name of 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one (CID 72712977) is 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one.
What is the SMILES notation for 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one?
The canonical SMILES for 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one is COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1.
What is the InChIKey of 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one?
The InChIKey is HJHJLSAFDLUSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h2-11H,20H2,1H3,(H,22,23,24).
What are the key properties of 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one?
8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one has a molecular weight of 360.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminophenyl)-2-(4-methoxyanilino)pteridin-7-one is sourced from PubChem (CID 72712977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).