2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide

C15H17ClN4O — CID 109246985

IUPAC2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC(C)C)cn2)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-9(2)19-14(21)11-7-17-15(18-8-11)20-12-5-4-10(3)13(16)6-12/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyAHHMZJZXCNWPJW-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide

2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 109246985) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID109246985
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC(C)C)cn2)cc1Cl
InChIInChI=1S/C15H17ClN4O/c1-9(2)19-14(21)11-7-17-15(18-8-11)20-12-5-4-10(3)13(16)6-12/h4-9H,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyAHHMZJZXCNWPJW-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269153
methyl 4-[[2-(3-chloro-4-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109269197
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109269145
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
methyl 3-[[5-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269162
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide (CID 109246985) is 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NC(C)C)cn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is AHHMZJZXCNWPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9(2)19-14(21)11-7-17-15(18-8-11)20-12-5-4-10(3)13(16)6-12/h4-9H,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).