2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide

C13H11Cl2N3O — CID 114251501

IUPAC2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Cl)nc(Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-4-3-5-9(11(7)14)17-12(19)10-6-8(2)16-13(15)18-10/h3-6H,1-2H3,(H,17,19)
InChIKeyBUPMSTMJXKRBDG-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114251501) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114251501
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Cl)nc(Cl)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-4-3-5-9(11(7)14)17-12(19)10-6-8(2)16-13(15)18-10/h3-6H,1-2H3,(H,17,19)
InChIKeyBUPMSTMJXKRBDG-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
CID 114219747
4,6-dimethyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 19224338
2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109332221
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109336125

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide (CID 114251501) is 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C)c2Cl)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BUPMSTMJXKRBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-4-3-5-9(11(7)14)17-12(19)10-6-8(2)16-13(15)18-10/h3-6H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114251501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).