6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112854299

IUPAC6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-15-11-12-19(29-5)17(13-15)25-22(28)18-14-20(27-23(2,3)4)26-21(24-18)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,25,28)(H,24,26,27)
InChIKeyCOTSSVAJCGDEIF-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.92
Rot. Bonds5

About 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide

6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854299) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854299
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-15-11-12-19(29-5)17(13-15)25-22(28)18-14-20(27-23(2,3)4)26-21(24-18)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,25,28)(H,24,26,27)
InChIKeyCOTSSVAJCGDEIF-UHFFFAOYSA-N
XLogP4.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851799
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
6-(tert-butylamino)-N-(2,6-difluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854311
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
N-(2-methoxy-5-methylphenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370258
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369995
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
6-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851800
2-N-(2-chlorophenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100814
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide (CID 112854299) is 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is COTSSVAJCGDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-11-12-19(29-5)17(13-15)25-22(28)18-14-20(27-23(2,3)4)26-21(24-18)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,25,28)(H,24,26,27).
What are the key properties of 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).