N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C21H22N4O3 — CID 109308723

IUPACN-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-8-6-16(7-9-17)24-20(26)19-11-13-23-21(25-19)22-12-10-15-4-3-5-18(14-15)28-2/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyRNLLLZYIWQGTFE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.40
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109308723) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109308723
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-17-8-6-16(7-9-17)24-20(26)19-11-13-23-21(25-19)22-12-10-15-4-3-5-18(14-15)28-2/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyRNLLLZYIWQGTFE-UHFFFAOYSA-N
XLogP3.40
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308686
N,N-diethyl-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308681
2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107854625
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109313099
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109308723) is N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCCc3cccc(OC)c3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is RNLLLZYIWQGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-8-6-16(7-9-17)24-20(26)19-11-13-23-21(25-19)22-12-10-15-4-3-5-18(14-15)28-2/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).