2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

C22H22N4 — CID 112861158

IUPAC2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(c1cc(N3CCc4ccccc4C3)ncn1)C2
InChIInChI=1S/C22H22N4/c1-3-7-19-14-25(11-9-17(19)5-1)21-13-22(24-16-23-21)26-12-10-18-6-2-4-8-20(18)15-26/h1-8,13,16H,9-12,14-15H2
InChIKeyMEZIABBSTKYBSW-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.60
Rot. Bonds2

About 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112861158) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID112861158
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(c1cc(N3CCc4ccccc4C3)ncn1)C2
InChIInChI=1S/C22H22N4/c1-3-7-19-14-25(11-9-17(19)5-1)21-13-22(24-16-23-21)26-12-10-18-6-2-4-8-20(18)15-26/h1-8,13,16H,9-12,14-15H2
InChIKeyMEZIABBSTKYBSW-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 22309526
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112861244
2-(4-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 82120293
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112861254
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716
N-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350691
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 112861158) is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(c1cc(N3CCc4ccccc4C3)ncn1)C2.
What is the InChIKey of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is MEZIABBSTKYBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-3-7-19-14-25(11-9-17(19)5-1)21-13-22(24-16-23-21)26-12-10-18-6-2-4-8-20(18)15-26/h1-8,13,16H,9-12,14-15H2.
What are the key properties of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 342.45 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112861158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).