6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide

C23H26N4O — CID 112854002

IUPAC6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NC(C)(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-16-10-12-17(13-11-16)15-24-22(28)19-14-20(27-23(2,3)4)26-21(25-19)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyNOKPVUXMIUNLKB-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.59
Rot. Bonds5

About 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide

6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854002) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID112854002
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NC(C)(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-16-10-12-17(13-11-16)15-24-22(28)19-14-20(27-23(2,3)4)26-21(25-19)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyNOKPVUXMIUNLKB-UHFFFAOYSA-N
XLogP4.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854020
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870
6-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854299
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
CID 112854288

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide (CID 112854002) is 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(NC(C)(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is NOKPVUXMIUNLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-10-12-17(13-11-16)15-24-22(28)19-14-20(27-23(2,3)4)26-21(25-19)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).