7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

C19H24N4O — CID 133298817

IUPAC7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(c1cc(N3CCCCC3)ncn1)CC2
InChIInChI=1S/C19H24N4O/c1-24-17-6-5-15-7-10-23(13-16(15)11-17)19-12-18(20-14-21-19)22-8-3-2-4-9-22/h5-6,11-12,14H,2-4,7-10,13H2,1H3
InChIKeyPCGCSOSJBMPUOM-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.04
Rot. Bonds3

About 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 133298817) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID133298817
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(c1cc(N3CCCCC3)ncn1)CC2
InChIInChI=1S/C19H24N4O/c1-24-17-6-5-15-7-10-23(13-16(15)11-17)19-12-18(20-14-21-19)22-8-3-2-4-9-22/h5-6,11-12,14H,2-4,7-10,13H2,1H3
InChIKeyPCGCSOSJBMPUOM-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethoxy-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 166296766
1-[6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 72891406
2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 56819735
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
5-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1,2,4-thiadiazole
CID 71998078
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 112863738

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 133298817) is 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(c1cc(N3CCCCC3)ncn1)CC2.
What is the InChIKey of 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is PCGCSOSJBMPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-17-6-5-15-7-10-23(13-16(15)11-17)19-12-18(20-14-21-19)22-8-3-2-4-9-22/h5-6,11-12,14H,2-4,7-10,13H2,1H3.
What are the key properties of 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 324.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133298817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).