N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

C23H25N5O — CID 109327232

IUPACN-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H25N5O/c1-18-16-21(22(29)24-17-19-8-4-2-5-9-19)26-23(25-18)28-14-12-27(13-15-28)20-10-6-3-7-11-20/h2-11,16H,12-15,17H2,1H3,(H,24,29)
InChIKeyIRSCVVAEWJOHKN-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.04
Rot. Bonds5

About N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109327232) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109327232
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H25N5O/c1-18-16-21(22(29)24-17-19-8-4-2-5-9-19)26-23(25-18)28-14-12-27(13-15-28)20-10-6-3-7-11-20/h2-11,16H,12-15,17H2,1H3,(H,24,29)
InChIKeyIRSCVVAEWJOHKN-UHFFFAOYSA-N
XLogP3.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327241
N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327240
2-(4-formylpiperazin-1-yl)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109326285
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108
N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731245
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255251
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319143
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109324073
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109326296

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109327232) is N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is IRSCVVAEWJOHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-18-16-21(22(29)24-17-19-8-4-2-5-9-19)26-23(25-18)28-14-12-27(13-15-28)20-10-6-3-7-11-20/h2-11,16H,12-15,17H2,1H3,(H,24,29).
What are the key properties of N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109327232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).