2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide

C12H8Cl3N3O — CID 118716125

IUPAC2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3N3O/c1-6-10(5-16-12(15)17-6)11(19)18-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,18,19)
InChIKeyASCOWQDAVUCWHH-UHFFFAOYSA-N
MW316.58 g/mol
LogP4.00
Rot. Bonds2

About 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide

2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 118716125) has the molecular formula C12H8Cl3N3O and a molecular weight of 316.58 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID118716125
Molecular FormulaC12H8Cl3N3O
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3N3O/c1-6-10(5-16-12(15)17-6)11(19)18-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,18,19)
InChIKeyASCOWQDAVUCWHH-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 668893
2-chloro-N-(6-methylpyridin-2-yl)pyridine-3-carboxamide
CID 4174965
N-(2-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899660
2-amino-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 1487911
N-(4-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899656
N-(3-chloro-2-methylphenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899661
2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 2780275
2-(3 Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid benzylamide
CID 9931203
2-(2-chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-benzylamide
CID 9978707
2-(3-Chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid 4-cyanobenzylamide
CID 10002881
2-(4-chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-benzylamide
CID 10024336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide (CID 118716125) is 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is ASCOWQDAVUCWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O/c1-6-10(5-16-12(15)17-6)11(19)18-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 316.58 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichlorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 118716125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).