(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide

C24H29N5O2 — CID 7413359

IUPAC(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1
InChIInChI=1S/C24H29N5O2/c1-17(2)18-8-10-19(11-9-18)25-23(31)21-16-22(30)27-24(26-21)29-14-12-28(13-15-29)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,25,31)(H,26,27,30)/t21-/m1/s1
InChIKeyOTGMDICZHFNEHV-OAQYLSRUSA-N
MW419.53 g/mol
LogP2.82
Rot. Bonds4

About (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 7413359) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID7413359
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1
InChIInChI=1S/C24H29N5O2/c1-17(2)18-8-10-19(11-9-18)25-23(31)21-16-22(30)27-24(26-21)29-14-12-28(13-15-29)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,25,31)(H,26,27,30)/t21-/m1/s1
InChIKeyOTGMDICZHFNEHV-OAQYLSRUSA-N
XLogP2.82
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7447000
ethyl 4-[[(4S)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate
CID 40814571
(4S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40814603
(4S)-N-(2-fluorophenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41066059
(4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7442098
(4S)-2-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 92846120
(4R)-2-morpholin-4-yl-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975980
N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2955635
N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6485542
(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41090793
(4S)-N-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7442079
(4S)-2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2027293

Frequently Asked Questions

What is the IUPAC name of (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 7413359) is (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide is CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1.
What is the InChIKey of (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is OTGMDICZHFNEHV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17(2)18-8-10-19(11-9-18)25-23(31)21-16-22(30)27-24(26-21)29-14-12-28(13-15-29)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,25,31)(H,26,27,30)/t21-/m1/s1.
What are the key properties of (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 7413359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).