2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one

C20H22FN5O — CID 54371503

IUPAC2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1c(-c2ccncc2)nc(NC[C@@H](N)Cc2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C20H22FN5O/c1-13-18(15-7-9-23-10-8-15)25-20(26(2)19(13)27)24-12-17(22)11-14-3-5-16(21)6-4-14/h3-10,17H,11-12,22H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyUTNIJYSITSNZPH-KRWDZBQOSA-N
MW367.43 g/mol
LogP2.27
Rot. Bonds6

About 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one

2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 54371503) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID54371503
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCc1c(-c2ccncc2)nc(NC[C@@H](N)Cc2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C20H22FN5O/c1-13-18(15-7-9-23-10-8-15)25-20(26(2)19(13)27)24-12-17(22)11-14-3-5-16(21)6-4-14/h3-10,17H,11-12,22H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyUTNIJYSITSNZPH-KRWDZBQOSA-N
XLogP2.27
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one (CID 54371503) is 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one is Cc1c(-c2ccncc2)nc(NC[C@@H](N)Cc2ccc(F)cc2)n(C)c1=O.
What is the InChIKey of 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is UTNIJYSITSNZPH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-13-18(15-7-9-23-10-8-15)25-20(26(2)19(13)27)24-12-17(22)11-14-3-5-16(21)6-4-14/h3-10,17H,11-12,22H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one?
2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 367.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-(4-fluorophenyl)propyl]amino]-3,5-dimethyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 54371503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).