N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide

C17H21N3O — CID 110858381

IUPACN-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C(C)(C)C)c(C)n1
InChIInChI=1S/C17H21N3O/c1-11-13(10-18-12(2)19-11)16(21)20-15-9-7-6-8-14(15)17(3,4)5/h6-10H,1-5H3,(H,20,21)
InChIKeyXNEKLQDXPLFMLS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.64
Rot. Bonds2

About N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide

N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 110858381) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID110858381
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C(C)(C)C)c(C)n1
InChIInChI=1S/C17H21N3O/c1-11-13(10-18-12(2)19-11)16(21)20-15-9-7-6-8-14(15)17(3,4)5/h6-10H,1-5H3,(H,20,21)
InChIKeyXNEKLQDXPLFMLS-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31890720
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701052
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide
CID 146126277
N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110858372
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-2,5-dihydroxybenzamide
CID 107723124

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide (CID 110858381) is N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccccc2C(C)(C)C)c(C)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is XNEKLQDXPLFMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-13(10-18-12(2)19-11)16(21)20-15-9-7-6-8-14(15)17(3,4)5/h6-10H,1-5H3,(H,20,21).
What are the key properties of N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide?
N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110858381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).