6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide

C23H24N4O — CID 109371660

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc(C)n2)cc1
InChIInChI=1S/C23H24N4O/c1-3-17-8-10-20(11-9-17)26-23(28)21-14-22(25-16(2)24-21)27-13-12-18-6-4-5-7-19(18)15-27/h4-11,14H,3,12-13,15H2,1-2H3,(H,26,28)
InChIKeyJLEUDHQYMSRWEA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.16
Rot. Bonds4

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109371660) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109371660
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc(C)n2)cc1
InChIInChI=1S/C23H24N4O/c1-3-17-8-10-20(11-9-17)26-23(28)21-14-22(25-16(2)24-21)27-13-12-18-6-4-5-7-19(18)15-27/h4-11,14H,3,12-13,15H2,1-2H3,(H,26,28)
InChIKeyJLEUDHQYMSRWEA-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109371649
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109371663
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109371683
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109284169
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109213884
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109371692
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371631
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368619
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369244
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369657
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109371660) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc(C)n2)cc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JLEUDHQYMSRWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-17-8-10-20(11-9-17)26-23(28)21-14-22(25-16(2)24-21)27-13-12-18-6-4-5-7-19(18)15-27/h4-11,14H,3,12-13,15H2,1-2H3,(H,26,28).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).