8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

C17H16N4O2 — CID 50902034

IUPAC8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncnc3)ncn1CC2
InChIInChI=1S/C17H16N4O2/c1-22-14-5-11-3-4-21-10-20-16(12-7-18-9-19-8-12)17(21)13(11)6-15(14)23-2/h5-10H,3-4H2,1-2H3
InChIKeyMRZAMCJUPIASDX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.58
Rot. Bonds3

About 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902034) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID50902034
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncnc3)ncn1CC2
InChIInChI=1S/C17H16N4O2/c1-22-14-5-11-3-4-21-10-20-16(12-7-18-9-19-8-12)17(21)13(11)6-15(14)23-2/h5-10H,3-4H2,1-2H3
InChIKeyMRZAMCJUPIASDX-UHFFFAOYSA-N
XLogP2.58
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902034) is 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cncnc3)ncn1CC2.
What is the InChIKey of 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is MRZAMCJUPIASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-14-5-11-3-4-21-10-20-16(12-7-18-9-19-8-12)17(21)13(11)6-15(14)23-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 308.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-pyrimidin-5-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).