2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C23H26N4O — CID 109306729

IUPAC2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccccc2C(C)C)n1
InChIInChI=1S/C23H26N4O/c1-4-27(16-18-10-6-5-7-11-18)23-24-15-14-21(26-23)22(28)25-20-13-9-8-12-19(20)17(2)3/h5-15,17H,4,16H2,1-3H3,(H,25,28)
InChIKeyCHHXSDZEZRWTAL-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.88
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109306729) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109306729
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccccc2C(C)C)n1
InChIInChI=1S/C23H26N4O/c1-4-27(16-18-10-6-5-7-11-18)23-24-15-14-21(26-23)22(28)25-20-13-9-8-12-19(20)17(2)3/h5-15,17H,4,16H2,1-3H3,(H,25,28)
InChIKeyCHHXSDZEZRWTAL-UHFFFAOYSA-N
XLogP4.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124304
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
CID 108989019
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
2-[benzyl(methyl)amino]-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305098
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109306729) is 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccccc2C(C)C)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CHHXSDZEZRWTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-27(16-18-10-6-5-7-11-18)23-24-15-14-21(26-23)22(28)25-20-13-9-8-12-19(20)17(2)3/h5-15,17H,4,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).