2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

C24H27N5 — CID 112936358

IUPAC2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCN(c2nc(-c3ccccc3)cc(N3CCc4ccccc4C3)n2)CC1
InChIInChI=1S/C24H27N5/c1-27-13-15-28(16-14-27)24-25-22(20-8-3-2-4-9-20)17-23(26-24)29-12-11-19-7-5-6-10-21(19)18-29/h2-10,17H,11-16,18H2,1H3
InChIKeyKPJFRDZRRDHUHA-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.46
Rot. Bonds3

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

2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 112936358) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID112936358
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCN1CCN(c2nc(-c3ccccc3)cc(N3CCc4ccccc4C3)n2)CC1
InChIInChI=1S/C24H27N5/c1-27-13-15-28(16-14-27)24-25-22(20-8-3-2-4-9-20)17-23(26-24)29-12-11-19-7-5-6-10-21(19)18-29/h2-10,17H,11-16,18H2,1H3
InChIKeyKPJFRDZRRDHUHA-UHFFFAOYSA-N
XLogP3.46
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112880942
4-[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936248
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112909449
2-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920315
N-tert-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-4-amine
CID 112937475
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenylpyrimidin-2-amine
CID 112934434
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 112936358) is 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is CN1CCN(c2nc(-c3ccccc3)cc(N3CCc4ccccc4C3)n2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is KPJFRDZRRDHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-27-13-15-28(16-14-27)24-25-22(20-8-3-2-4-9-20)17-23(26-24)29-12-11-19-7-5-6-10-21(19)18-29/h2-10,17H,11-16,18H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 385.52 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112936358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).