N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide

C21H20ClN3O2 — CID 132657337

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NC(C)c3ccc(Cl)cc3)c(C)n2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-13(15-4-8-17(22)9-5-15)25-21(26)19-12-23-20(24-14(19)2)16-6-10-18(27-3)11-7-16/h4-13H,1-3H3,(H,25,26)
InChIKeyZZUBDQTWQWUCKA-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.61
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide

N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 132657337) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID132657337
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NC(C)c3ccc(Cl)cc3)c(C)n2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-13(15-4-8-17(22)9-5-15)25-21(26)19-12-23-20(24-14(19)2)16-6-10-18(27-3)11-7-16/h4-13H,1-3H3,(H,25,26)
InChIKeyZZUBDQTWQWUCKA-UHFFFAOYSA-N
XLogP4.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505259
4-[benzyl(methyl)amino]-2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrimidine-5-carboxamide
CID 93138203
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide (CID 132657337) is N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide is COc1ccc(-c2ncc(C(=O)NC(C)c3ccc(Cl)cc3)c(C)n2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is ZZUBDQTWQWUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13(15-4-8-17(22)9-5-15)25-21(26)19-12-23-20(24-14(19)2)16-6-10-18(27-3)11-7-16/h4-13H,1-3H3,(H,25,26).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 132657337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).