N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

C17H21N3O — CID 53080190

IUPACN-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(C(C)C)nc2C)c1C
InChIInChI=1S/C17H21N3O/c1-10(2)16-18-9-14(13(5)19-16)17(21)20-15-8-6-7-11(3)12(15)4/h6-10H,1-5H3,(H,20,21)
InChIKeyLJZIFXMRSCGQOZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.78
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 53080190) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID53080190
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(C(C)C)nc2C)c1C
InChIInChI=1S/C17H21N3O/c1-10(2)16-18-9-14(13(5)19-16)17(21)20-15-8-6-7-11(3)12(15)4/h6-10H,1-5H3,(H,20,21)
InChIKeyLJZIFXMRSCGQOZ-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53014357
5-(2,3-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63536970
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684721
4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 100752793
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
4-methyl-N-(4-phenylbutan-2-yl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 53034177
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 86857183

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 53080190) is N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(C(C)C)nc2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is LJZIFXMRSCGQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10(2)16-18-9-14(13(5)19-16)17(21)20-15-8-6-7-11(3)12(15)4/h6-10H,1-5H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53080190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).