2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide

C25H29N5O — CID 42671005

IUPAC2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NC(C)c3ccccc3)c(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C25H29N5O/c1-18-9-11-21(12-10-18)23-26-17-22(24(28-23)30-15-13-29(3)14-16-30)25(31)27-19(2)20-7-5-4-6-8-20/h4-12,17,19H,13-16H2,1-3H3,(H,27,31)
InChIKeyJJCPONFJSLPZTF-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 42671005) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID42671005
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NC(C)c3ccccc3)c(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C25H29N5O/c1-18-9-11-21(12-10-18)23-26-17-22(24(28-23)30-15-13-29(3)14-16-30)25(31)27-19(2)20-7-5-4-6-8-20/h4-12,17,19H,13-16H2,1-3H3,(H,27,31)
InChIKeyJJCPONFJSLPZTF-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42670331
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
CID 93138303
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42670920
N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138162
N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138161
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
N-tert-butyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111457
2-(4-methylphenyl)-4-pyridin-4-yl-N-(1-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 53200674
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
N-[1-(4-fluorophenyl)ethyl]-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143559

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 42671005) is 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)NC(C)c3ccccc3)c(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is JJCPONFJSLPZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-18-9-11-21(12-10-18)23-26-17-22(24(28-23)30-15-13-29(3)14-16-30)25(31)27-19(2)20-7-5-4-6-8-20/h4-12,17,19H,13-16H2,1-3H3,(H,27,31).
What are the key properties of 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42671005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).