N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide

C21H22N4O2 — CID 109260339

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H22N4O2/c1-15-6-8-18(9-7-15)25-21-23-13-17(14-24-21)20(26)22-11-10-16-4-3-5-19(12-16)27-2/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyOLRIXYJWOIWHGR-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109260339) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
PubChem CID109260339
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H22N4O2/c1-15-6-8-18(9-7-15)25-21-23-13-17(14-24-21)20(26)22-11-10-16-4-3-5-19(12-16)27-2/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyOLRIXYJWOIWHGR-UHFFFAOYSA-N
XLogP3.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260370
2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260348
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256093
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248666
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide (CID 109260339) is N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide is COc1cccc(CCNC(=O)c2cnc(Nc3ccc(C)cc3)nc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is OLRIXYJWOIWHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-8-18(9-7-15)25-21-23-13-17(14-24-21)20(26)22-11-10-16-4-3-5-19(12-16)27-2/h3-9,12-14H,10-11H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109260339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).