2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C25H23ClFN5O — CID 18767902

IUPAC2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(N)Cc2ccccc2Cl)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C25H23ClFN5O/c1-32-24(33)22(16-6-8-19(27)9-7-16)23(17-10-12-29-13-11-17)31-25(32)30-15-20(28)14-18-4-2-3-5-21(18)26/h2-13,20H,14-15,28H2,1H3,(H,30,31)
InChIKeyZUCRBKCIXKDVNU-UHFFFAOYSA-N
MW463.94 g/mol
LogP4.28
Rot. Bonds7

About 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 18767902) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID18767902
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC Name2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(N)Cc2ccccc2Cl)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C25H23ClFN5O/c1-32-24(33)22(16-6-8-19(27)9-7-16)23(17-10-12-29-13-11-17)31-25(32)30-15-20(28)14-18-4-2-3-5-21(18)26/h2-13,20H,14-15,28H2,1H3,(H,30,31)
InChIKeyZUCRBKCIXKDVNU-UHFFFAOYSA-N
XLogP4.28
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-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-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one
CID 54371503
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22091783
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one;2-[[(3S)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 70347090
2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767896
2-(3,3-diphenylpropylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767912
5-[3-(aminomethyl)phenyl]-2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 174414051
5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 18767931
5-(4-fluorophenyl)-3-methyl-2-[[(3R)-3-phenyl-3-(propan-2-ylamino)propyl]amino]-6-pyridin-4-ylpyrimidin-4-one
CID 22091809
2-[2-(2-chlorophenyl)ethylamino]-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135703021
5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile
CID 11197527
2-[(2-amino-3-phenylpropyl)amino]-3-methyl-5-(2-oxopyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 22139600
2-[[(2S)-2-amino-3-phenylpropyl]amino]-5-(1-hydroxyisoindol-2-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 91521412

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 18767902) is 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCC(N)Cc2ccccc2Cl)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is ZUCRBKCIXKDVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c1-32-24(33)22(16-6-8-19(27)9-7-16)23(17-10-12-29-13-11-17)31-25(32)30-15-20(28)14-18-4-2-3-5-21(18)26/h2-13,20H,14-15,28H2,1H3,(H,30,31).
What are the key properties of 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 463.94 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-3-(2-chlorophenyl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 18767902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).