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

C12H9Cl2N3O — CID 47255119

IUPACN-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O/c1-7-15-5-4-11(16-7)12(18)17-8-2-3-9(13)10(14)6-8/h2-6H,1H3,(H,17,18)
InChIKeyGBPYYTGDAQDQAH-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 47255119) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID47255119
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O/c1-7-15-5-4-11(16-7)12(18)17-8-2-3-9(13)10(14)6-8/h2-6H,1H3,(H,17,18)
InChIKeyGBPYYTGDAQDQAH-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314882
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
N-(3,4-dichlorophenyl)-5-hydroxy-3-(2-methylpyrimidin-4-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide
CID 142490089
N-(3-chloro-4-methylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294844
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide (CID 47255119) is N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is GBPYYTGDAQDQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-15-5-4-11(16-7)12(18)17-8-2-3-9(13)10(14)6-8/h2-6H,1H3,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 47255119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).