2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109314197

IUPAC2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-15(2)17-11-7-8-12-18(17)23-20(26)19-13-14-22-21(24-19)25(3)16-9-5-4-6-10-16/h4-15H,1-3H3,(H,23,26)
InChIKeyHXWZEPIVTYZOHC-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.62
Rot. Bonds5

About 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314197) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109314197
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-15(2)17-11-7-8-12-18(17)23-20(26)19-13-14-22-21(24-19)25(3)16-9-5-4-6-10-16/h4-15H,1-3H3,(H,23,26)
InChIKeyHXWZEPIVTYZOHC-UHFFFAOYSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314201
2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314256
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290312
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
N-butan-2-yl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109297362
2-N-methyl-2-N-phenyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091478
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109314197) is 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is CC(C)c1ccccc1NC(=O)c1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HXWZEPIVTYZOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)17-11-7-8-12-18(17)23-20(26)19-13-14-22-21(24-19)25(3)16-9-5-4-6-10-16/h4-15H,1-3H3,(H,23,26).
What are the key properties of 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).