N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide

C22H24N4O — CID 112854326

IUPACN-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-22(2,3)25-21(27)18-15-19(26(4)17-13-9-6-10-14-17)24-20(23-18)16-11-7-5-8-12-16/h5-15H,1-4H3,(H,25,27)
InChIKeyKOEBKPADHORORR-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.44
Rot. Bonds4

About N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide

N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854326) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854326
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-22(2,3)25-21(27)18-15-19(26(4)17-13-9-6-10-14-17)24-20(23-18)16-11-7-5-8-12-16/h5-15H,1-4H3,(H,25,27)
InChIKeyKOEBKPADHORORR-UHFFFAOYSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851649
N-[2-(dimethylamino)ethyl]-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853685
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
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-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-2-phenylpyrimidine-4-carboxamide
CID 112854344
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854327
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112854017
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851607

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide (CID 112854326) is N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide is CN(c1ccccc1)c1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is KOEBKPADHORORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2,3)25-21(27)18-15-19(26(4)17-13-9-6-10-14-17)24-20(23-18)16-11-7-5-8-12-16/h5-15H,1-4H3,(H,25,27).
What are the key properties of N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide?
N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).