N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109314210

IUPACN-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H17ClN4O/c1-13-8-9-14(20)12-17(13)22-18(25)16-10-11-21-19(23-16)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,25)
InChIKeyZGNAQALWJUZENH-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.46
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109314210) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109314210
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H17ClN4O/c1-13-8-9-14(20)12-17(13)22-18(25)16-10-11-21-19(23-16)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,25)
InChIKeyZGNAQALWJUZENH-UHFFFAOYSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197
2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314256
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315
2-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314201
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305030
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305094
N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314273

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109314210) is N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is ZGNAQALWJUZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-8-9-14(20)12-17(13)22-18(25)16-10-11-21-19(23-16)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).