N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide

C14H14ClN3O — CID 110859086

IUPACN-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2C)nc(C)n1
InChIInChI=1S/C14H14ClN3O/c1-8-4-5-11(15)7-12(8)18-14(19)13-6-9(2)16-10(3)17-13/h4-7H,1-3H3,(H,18,19)
InChIKeySBFRPOZGQZOMLN-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.31
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110859086) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110859086
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2C)nc(C)n1
InChIInChI=1S/C14H14ClN3O/c1-8-4-5-11(15)7-12(8)18-14(19)13-6-9(2)16-10(3)17-13/h4-7H,1-3H3,(H,18,19)
InChIKeySBFRPOZGQZOMLN-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304
N-(5-chloro-2-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368564
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329925
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110859086) is N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2C)nc(C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is SBFRPOZGQZOMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-4-5-11(15)7-12(8)18-14(19)13-6-9(2)16-10(3)17-13/h4-7H,1-3H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110859086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).