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

C13H14N2 — CID 10559880

IUPAC6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESCC1=Cc2ccccc2C2=NCCCN12
InChIInChI=1S/C13H14N2/c1-10-9-11-5-2-3-6-12(11)13-14-7-4-8-15(10)13/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyHGGVBXRKCZPWKA-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.51
Rot. Bonds

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

6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (PubChem CID 10559880) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
PubChem CID10559880
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
SMILESCC1=Cc2ccccc2C2=NCCCN12
InChIInChI=1S/C13H14N2/c1-10-9-11-5-2-3-6-12(11)13-14-7-4-8-15(10)13/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyHGGVBXRKCZPWKA-UHFFFAOYSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The IUPAC name of 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline (CID 10559880) is 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is CC1=Cc2ccccc2C2=NCCCN12.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
The InChIKey is HGGVBXRKCZPWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-9-11-5-2-3-6-12(11)13-14-7-4-8-15(10)13/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline?
6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline has a molecular weight of 198.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline is sourced from PubChem (CID 10559880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).