2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

C23H26N4O — CID 109311637

IUPAC2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)c1
InChIInChI=1S/C23H26N4O/c1-16(2)27(15-19-8-6-5-7-9-19)23-24-13-12-20(26-23)22(28)25-21-14-17(3)10-11-18(21)4/h5-14,16H,15H2,1-4H3,(H,25,28)
InChIKeyKMRVEKPYILYGBJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.76
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109311637) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109311637
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)c1
InChIInChI=1S/C23H26N4O/c1-16(2)27(15-19-8-6-5-7-9-19)23-24-13-12-20(26-23)22(28)25-21-14-17(3)10-11-18(21)4/h5-14,16H,15H2,1-4H3,(H,25,28)
InChIKeyKMRVEKPYILYGBJ-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305030
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304614
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
N-(3-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311663
N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311664
N-(1,3-benzodioxol-5-yl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311667
2-[benzyl(propan-2-yl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296184
6-N-benzyl-2-N-(2,5-dimethylphenyl)-6-N-ethylpyridine-2,6-dicarboxamide
CID 109098095
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151
6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (CID 109311637) is 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2ccnc(N(Cc3ccccc3)C(C)C)n2)c1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KMRVEKPYILYGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)27(15-19-8-6-5-7-9-19)23-24-13-12-20(26-23)22(28)25-21-14-17(3)10-11-18(21)4/h5-14,16H,15H2,1-4H3,(H,25,28).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).