6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109347713

IUPAC6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C21H22N4O2/c1-14-9-10-19(27-3)17(11-14)25-20-12-18(22-13-23-20)21(26)24-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyUITICJLIGNBOKX-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.03
Rot. Bonds6

About 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109347713) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109347713
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C21H22N4O2/c1-14-9-10-19(27-3)17(11-14)25-20-12-18(22-13-23-20)21(26)24-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyUITICJLIGNBOKX-UHFFFAOYSA-N
XLogP4.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304925

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109347713) is 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1cc(C(=O)NC(C)c2ccccc2)ncn1.
What is the InChIKey of 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is UITICJLIGNBOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-9-10-19(27-3)17(11-14)25-20-12-18(22-13-23-20)21(26)24-15(2)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).