N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109313154

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)NCCc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-7-5-16(6-8-17)24-20-23-12-10-18(25-20)19(26)22-11-9-14-3-2-4-15(21)13-14/h2-8,10,12-13H,9,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLNWAGTHWDTUMMO-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109313154) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109313154
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)NCCc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-27-17-7-5-16(6-8-17)24-20-23-12-10-18(25-20)19(26)22-11-9-14-3-2-4-15(21)13-14/h2-8,10,12-13H,9,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyLNWAGTHWDTUMMO-UHFFFAOYSA-N
XLogP3.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
2-(butan-2-ylamino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109297162
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901462
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide (CID 109313154) is N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)NCCc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is LNWAGTHWDTUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-17-7-5-16(6-8-17)24-20-23-12-10-18(25-20)19(26)22-11-9-14-3-2-4-15(21)13-14/h2-8,10,12-13H,9,11H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).