4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide

C28H28N4O2 — CID 93138203

IUPAC4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H28N4O2/c1-20(22-12-8-5-9-13-22)30-28(33)25-18-29-26(23-14-16-24(34-3)17-15-23)31-27(25)32(2)19-21-10-6-4-7-11-21/h4-18,20H,19H2,1-3H3,(H,30,33)/t20-/m0/s1
InChIKeyUWTCTIWFVGIHQW-FQEVSTJZSA-N
MW452.56 g/mol
LogP5.28
Rot. Bonds8

About 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide

4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide (PubChem CID 93138203) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
PubChem CID93138203
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H28N4O2/c1-20(22-12-8-5-9-13-22)30-28(33)25-18-29-26(23-14-16-24(34-3)17-15-23)31-27(25)32(2)19-21-10-6-4-7-11-21/h4-18,20H,19H2,1-3H3,(H,30,33)/t20-/m0/s1
InChIKeyUWTCTIWFVGIHQW-FQEVSTJZSA-N
XLogP5.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-(1-phenylethyl)propanamide
CID 24718265
3-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2,4-thiadiazole-5-carboxamide
CID 54133730
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
CID 133150074
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
3-(4-methoxyphenyl)-4-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 20803221
5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56973796
6-(dimethylamino)-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84570463
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide (CID 93138203) is 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide is COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide?
The InChIKey is UWTCTIWFVGIHQW-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-20(22-12-8-5-9-13-22)30-28(33)25-18-29-26(23-14-16-24(34-3)17-15-23)31-27(25)32(2)19-21-10-6-4-7-11-21/h4-18,20H,19H2,1-3H3,(H,30,33)/t20-/m0/s1.
What are the key properties of 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide?
4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 93138203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).