2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H21FN4O2 — CID 135917921

IUPAC2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(F)c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H21FN4O2/c1-28-19-4-2-3-17(22)15(19)11-26-10-9-18-16(12-26)21(27)25-20(24-18)13-5-7-14(23)8-6-13/h2-8H,9-12,23H2,1H3,(H,24,25,27)
InChIKeyZPLLBVOWXOPMSJ-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135917921) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135917921
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(F)c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H21FN4O2/c1-28-19-4-2-3-17(22)15(19)11-26-10-9-18-16(12-26)21(27)25-20(24-18)13-5-7-14(23)8-6-13/h2-8H,9-12,23H2,1H3,(H,24,25,27)
InChIKeyZPLLBVOWXOPMSJ-UHFFFAOYSA-N
XLogP2.73
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-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

2-(2-methoxyphenyl)-3H-quinazolin-4-one
CID 135436005
2-{3-[4-(2-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one
CID 135405830
10-(2-Methoxybenzyl)benzo[g]pteridine-2,4(3H,10H)-dione (7k)
CID 91937758
N-(3,5-difluorophenyl)-2-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
CID 136112287
2-[4-(Dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162644450
2-(2-Methoxy-phenyl)-3-phenethyl-3H-quinazolin-4-one
CID 44390065
6-Benzyl-2-[(2-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136362969
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methoxyphenyl)acetamide
CID 49807232
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(4-methoxyphenyl)acetamide
CID 49807233
2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]-N-(4-methoxyphenyl)acetamide
CID 49813885
N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135422756
N-(2-ethylphenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 135546910

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135917921) is 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cccc(F)c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1.
What is the InChIKey of 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZPLLBVOWXOPMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-19-4-2-3-17(22)15(19)11-26-10-9-18-16(12-26)21(27)25-20(24-18)13-5-7-14(23)8-6-13/h2-8H,9-12,23H2,1H3,(H,24,25,27).
What are the key properties of 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 380.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-[(2-fluoro-6-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135917921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).