6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide

C23H26N4O — CID 112852505

IUPAC6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccc(C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-4-17(3)25-21-14-20(26-22(27-21)19-8-6-5-7-9-19)23(28)24-15-18-12-10-16(2)11-13-18/h5-14,17H,4,15H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyWIGXFZVUEXKDGC-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.59
Rot. Bonds7

About 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852505) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID112852505
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccc(C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-4-17(3)25-21-14-20(26-22(27-21)19-8-6-5-7-9-19)23(28)24-15-18-12-10-16(2)11-13-18/h5-14,17H,4,15H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyWIGXFZVUEXKDGC-UHFFFAOYSA-N
XLogP4.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852508
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
6-(butan-2-ylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82170035
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide (CID 112852505) is 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)NCc2ccc(C)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is WIGXFZVUEXKDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-17(3)25-21-14-20(26-22(27-21)19-8-6-5-7-9-19)23(28)24-15-18-12-10-16(2)11-13-18/h5-14,17H,4,15H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).