N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109351495

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-25(17-6-4-3-5-7-17)20-14-19(23-15-24-20)21(26)22-13-12-16-8-10-18(27-2)11-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,26)
InChIKeyHCXJZJKDKNASFQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109351495) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109351495
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-25(17-6-4-3-5-7-17)20-14-19(23-15-24-20)21(26)22-13-12-16-8-10-18(27-2)11-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,26)
InChIKeyHCXJZJKDKNASFQ-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320
N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356373
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351354
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350845
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
5-(N-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192755
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide (CID 109351495) is N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(N(C)c3ccccc3)ncn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is HCXJZJKDKNASFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(17-6-4-3-5-7-17)20-14-19(23-15-24-20)21(26)22-13-12-16-8-10-18(27-2)11-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).