4-tert-butyl-N-pyrimidin-5-ylbenzamide

C15H17N3O — CID 76848988

IUPAC4-tert-butyl-N-pyrimidin-5-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cncnc2)cc1
InChIInChI=1S/C15H17N3O/c1-15(2,3)12-6-4-11(5-7-12)14(19)18-13-8-16-10-17-9-13/h4-10H,1-3H3,(H,18,19)
InChIKeyLELKTNFCLHVNDD-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.03
Rot. Bonds2

About 4-tert-butyl-N-pyrimidin-5-ylbenzamide

4-tert-butyl-N-pyrimidin-5-ylbenzamide (PubChem CID 76848988) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-tert-butyl-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-pyrimidin-5-ylbenzamide
PubChem CID76848988
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-tert-butyl-N-pyrimidin-5-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cncnc2)cc1
InChIInChI=1S/C15H17N3O/c1-15(2,3)12-6-4-11(5-7-12)14(19)18-13-8-16-10-17-9-13/h4-10H,1-3H3,(H,18,19)
InChIKeyLELKTNFCLHVNDD-UHFFFAOYSA-N
XLogP3.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-pyrimidin-5-ylbenzamide
CID 68971843
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107590035

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-pyrimidin-5-ylbenzamide (CID 76848988) is 4-tert-butyl-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-pyrimidin-5-ylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cncnc2)cc1.
What is the InChIKey of 4-tert-butyl-N-pyrimidin-5-ylbenzamide?
The InChIKey is LELKTNFCLHVNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2,3)12-6-4-11(5-7-12)14(19)18-13-8-16-10-17-9-13/h4-10H,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-pyrimidin-5-ylbenzamide?
4-tert-butyl-N-pyrimidin-5-ylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 76848988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).