6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline

C18H16N2 — CID 10515503

IUPAC6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESC1=C(c2ccccc2)N2CCCN=C2c2ccccc21
InChIInChI=1S/C18H16N2/c1-2-7-14(8-3-1)17-13-15-9-4-5-10-16(15)18-19-11-6-12-20(17)18/h1-5,7-10,13H,6,11-12H2
InChIKeyGUDAHXALNOESAH-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.65
Rot. Bonds1

About 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline

6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (PubChem CID 10515503) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
PubChem CID10515503
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESC1=C(c2ccccc2)N2CCCN=C2c2ccccc21
InChIInChI=1S/C18H16N2/c1-2-7-14(8-3-1)17-13-15-9-4-5-10-16(15)18-19-11-6-12-20(17)18/h1-5,7-10,13H,6,11-12H2
InChIKeyGUDAHXALNOESAH-UHFFFAOYSA-N
XLogP3.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The IUPAC name of 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (CID 10515503) is 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.
What is the SMILES notation for 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The canonical SMILES for 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is C1=C(c2ccccc2)N2CCCN=C2c2ccccc21.
What is the InChIKey of 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The InChIKey is GUDAHXALNOESAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-7-14(8-3-1)17-13-15-9-4-5-10-16(15)18-19-11-6-12-20(17)18/h1-5,7-10,13H,6,11-12H2.
What are the key properties of 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline has a molecular weight of 260.34 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is sourced from PubChem (CID 10515503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).