6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide

C22H24N4O — CID 112854283

IUPAC6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NC(C)(C)C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O/c1-15-9-8-12-17(13-15)23-21(27)18-14-19(26-22(2,3)4)25-20(24-18)16-10-6-5-7-11-16/h5-14H,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyQLGWTTGOXSZXGY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.91
Rot. Bonds4

About 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide

6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854283) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854283
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NC(C)(C)C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H24N4O/c1-15-9-8-12-17(13-15)23-21(27)18-14-19(26-22(2,3)4)25-20(24-18)16-10-6-5-7-11-16/h5-14H,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyQLGWTTGOXSZXGY-UHFFFAOYSA-N
XLogP4.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854311
6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854299
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide (CID 112854283) is 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(NC(C)(C)C)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is QLGWTTGOXSZXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-9-8-12-17(13-15)23-21(27)18-14-19(26-22(2,3)4)25-20(24-18)16-10-6-5-7-11-16/h5-14H,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).