N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

C23H25N5O — CID 109309479

IUPACN-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCN(c4ccccc4)CC3)n2)cc1C
InChIInChI=1S/C23H25N5O/c1-17-8-9-19(16-18(17)2)25-22(29)21-10-11-24-23(26-21)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,25,29)
InChIKeyPDHBYKFJSOIMKO-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.67
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109309479) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109309479
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCN(c4ccccc4)CC3)n2)cc1C
InChIInChI=1S/C23H25N5O/c1-17-8-9-19(16-18(17)2)25-22(29)21-10-11-24-23(26-21)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,25,29)
InChIKeyPDHBYKFJSOIMKO-UHFFFAOYSA-N
XLogP3.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109299826
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209202
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-(3,5-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310548
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109309479) is N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCN(c4ccccc4)CC3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is PDHBYKFJSOIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-8-9-19(16-18(17)2)25-22(29)21-10-11-24-23(26-21)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,25,29).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).