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

C12H9Cl2N3O — CID 110863958

IUPACN-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2N3O/c1-7-9(5-15-6-16-7)12(18)17-8-2-3-10(13)11(14)4-8/h2-6H,1H3,(H,17,18)
InChIKeyITGPPWUHULUHQZ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.34
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 110863958) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID110863958
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2N3O/c1-7-9(5-15-6-16-7)12(18)17-8-2-3-10(13)11(14)4-8/h2-6H,1H3,(H,17,18)
InChIKeyITGPPWUHULUHQZ-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
CID 131912526
methyl 4-chloro-3-[(4-methylpyrimidine-5-carbonyl)amino]benzoate
CID 110861800
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
CID 131904571
N-(3,4-dichlorophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110863992
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-3-carboxamide
CID 107701234

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide (CID 110863958) is N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is ITGPPWUHULUHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7-9(5-15-6-16-7)12(18)17-8-2-3-10(13)11(14)4-8/h2-6H,1H3,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide?
N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-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)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110863958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).