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

C13H13ClN4O — CID 118462020

IUPAC2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Cl)nc1Nc1ccccc1C
InChIInChI=1S/C13H13ClN4O/c1-8-5-3-4-6-10(8)17-11-9(12(19)15-2)7-16-13(14)18-11/h3-7H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyHCPRHGARRGFTHA-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.54
Rot. Bonds3

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

2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide (PubChem CID 118462020) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide
PubChem CID118462020
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Cl)nc1Nc1ccccc1C
InChIInChI=1S/C13H13ClN4O/c1-8-5-3-4-6-10(8)17-11-9(12(19)15-2)7-16-13(14)18-11/h3-7H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyHCPRHGARRGFTHA-UHFFFAOYSA-N
XLogP2.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
6-amino-N-methyl-4-(2-methylanilino)pyridine-3-carboxamide
CID 122579392
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86633984
1-[2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidin-5-yl]ethanone
CID 155456982
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 171437014
3-bromo-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86634074
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-2-carboxamide
CID 86634004
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
2-[(5-amino-2-chloropyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 140635040

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide (CID 118462020) is 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide is CNC(=O)c1cnc(Cl)nc1Nc1ccccc1C.
What is the InChIKey of 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is HCPRHGARRGFTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-5-3-4-6-10(8)17-11-9(12(19)15-2)7-16-13(14)18-11/h3-7H,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide?
2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 118462020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).