6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C22H22N4O — CID 109371649

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc(C)n2)cc1
InChIInChI=1S/C22H22N4O/c1-15-7-9-19(10-8-15)25-22(27)20-13-21(24-16(2)23-20)26-12-11-17-5-3-4-6-18(17)14-26/h3-10,13H,11-12,14H2,1-2H3,(H,25,27)
InChIKeyZYXPJPIDZPZXMW-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.91
Rot. Bonds3

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109371649) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109371649
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc(C)n2)cc1
InChIInChI=1S/C22H22N4O/c1-15-7-9-19(10-8-15)25-22(27)20-13-21(24-16(2)23-20)26-12-11-17-5-3-4-6-18(17)14-26/h3-10,13H,11-12,14H2,1-2H3,(H,25,27)
InChIKeyZYXPJPIDZPZXMW-UHFFFAOYSA-N
XLogP3.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109371660
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
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109371692
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
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)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368619
2-methyl-N-(4-methylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373247
N-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350691

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109371649) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc(C)n2)cc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZYXPJPIDZPZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-7-9-19(10-8-15)25-22(27)20-13-21(24-16(2)23-20)26-12-11-17-5-3-4-6-18(17)14-26/h3-10,13H,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.91, 3 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)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).