2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide

C23H26N4O — CID 109305045

IUPAC2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C23H26N4O/c1-23(2,3)18-10-12-19(13-11-18)25-21(28)20-14-15-24-22(26-20)27(4)16-17-8-6-5-7-9-17/h5-15H,16H2,1-4H3,(H,25,28)
InChIKeyDYWMNSPOJRZHMQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.66
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide (PubChem CID 109305045) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
PubChem CID109305045
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C23H26N4O/c1-23(2,3)18-10-12-19(13-11-18)25-21(28)20-14-15-24-22(26-20)27(4)16-17-8-6-5-7-9-17/h5-15H,16H2,1-4H3,(H,25,28)
InChIKeyDYWMNSPOJRZHMQ-UHFFFAOYSA-N
XLogP4.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-[benzyl(methyl)amino]-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305098
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305030
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305094
N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311664
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
2-[benzyl(methyl)amino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328260
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
N-(4-tert-butylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296803
2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109305037

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide (CID 109305045) is 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide is CN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DYWMNSPOJRZHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2,3)18-10-12-19(13-11-18)25-21(28)20-14-15-24-22(26-20)27(4)16-17-8-6-5-7-9-17/h5-15H,16H2,1-4H3,(H,25,28).
What are the key properties of 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).