5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

C19H24N4O2 — CID 166296766

IUPAC5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)CCN(c1cc(N3CCCC3)ncn1)C2
InChIInChI=1S/C19H24N4O2/c1-24-15-9-14-12-23(8-5-16(14)17(10-15)25-2)19-11-18(20-13-21-19)22-6-3-4-7-22/h9-11,13H,3-8,12H2,1-2H3
InChIKeyXKNUQPHDNDNPCC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.66
Rot. Bonds4

About 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 166296766) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID166296766
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)CCN(c1cc(N3CCCC3)ncn1)C2
InChIInChI=1S/C19H24N4O2/c1-24-15-9-14-12-23(8-5-16(14)17(10-15)25-2)19-11-18(20-13-21-19)22-6-3-4-7-22/h9-11,13H,3-8,12H2,1-2H3
InChIKeyXKNUQPHDNDNPCC-UHFFFAOYSA-N
XLogP2.66
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133298817
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341073
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 112863738
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051
N-(3,5-dimethoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170427
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
6-(6-piperidin-1-ylpyrimidin-4-yl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 127910287

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 166296766) is 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is COc1cc2c(c(OC)c1)CCN(c1cc(N3CCCC3)ncn1)C2.
What is the InChIKey of 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is XKNUQPHDNDNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-24-15-9-14-12-23(8-5-16(14)17(10-15)25-2)19-11-18(20-13-21-19)22-6-3-4-7-22/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 340.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166296766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).