N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

C23H26N4O — CID 112854158

IUPACN-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-23(2,3)27-22(28)19-16-20(24-15-14-17-10-6-4-7-11-17)26-21(25-19)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyMOKBVOKHOSVOLU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.33
Rot. Bonds6

About N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 112854158) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID112854158
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-23(2,3)27-22(28)19-16-20(24-15-14-17-10-6-4-7-11-17)26-21(25-19)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyMOKBVOKHOSVOLU-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112854017
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 112854158) is N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is CC(C)(C)NC(=O)c1cc(NCCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is MOKBVOKHOSVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2,3)27-22(28)19-16-20(24-15-14-17-10-6-4-7-11-17)26-21(25-19)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112854158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).