N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

C24H26FN5O3 — CID 54682023

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(CNC(=O)c2nc(N3CCN(c4ccccc4)CC3)n(C)c(=O)c2O)ccc1F
InChIInChI=1S/C24H26FN5O3/c1-16-14-17(8-9-19(16)25)15-26-22(32)20-21(31)23(33)28(2)24(27-20)30-12-10-29(11-13-30)18-6-4-3-5-7-18/h3-9,14,31H,10-13,15H2,1-2H3,(H,26,32)
InChIKeyPUTOGFAKLWEZGF-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.19
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 54682023) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID54682023
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(CNC(=O)c2nc(N3CCN(c4ccccc4)CC3)n(C)c(=O)c2O)ccc1F
InChIInChI=1S/C24H26FN5O3/c1-16-14-17(8-9-19(16)25)15-26-22(32)20-21(31)23(33)28(2)24(27-20)30-12-10-29(11-13-30)18-6-4-3-5-7-18/h3-9,14,31H,10-13,15H2,1-2H3,(H,26,32)
InChIKeyPUTOGFAKLWEZGF-UHFFFAOYSA-N
XLogP2.19
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide 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 N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 54682023) is N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1cc(CNC(=O)c2nc(N3CCN(c4ccccc4)CC3)n(C)c(=O)c2O)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is PUTOGFAKLWEZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-16-14-17(8-9-19(16)25)15-26-22(32)20-21(31)23(33)28(2)24(27-20)30-12-10-29(11-13-30)18-6-4-3-5-7-18/h3-9,14,31H,10-13,15H2,1-2H3,(H,26,32).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54682023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).