2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

C20H18FN3 — CID 4550940

IUPAC2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(-c2ccccc2F)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H18FN3/c1-14-22-19(17-8-4-5-9-18(17)21)12-20(23-14)24-11-10-15-6-2-3-7-16(15)13-24/h2-9,12H,10-11,13H2,1H3
InChIKeyAKUWWMIRQRKHET-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.15
Rot. Bonds2

About 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 4550940) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID4550940
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC Name2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(-c2ccccc2F)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H18FN3/c1-14-22-19(17-8-4-5-9-18(17)21)12-20(23-14)24-11-10-15-6-2-3-7-16(15)13-24/h2-9,12H,10-11,13H2,1H3
InChIKeyAKUWWMIRQRKHET-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 4550940) is 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is Cc1nc(-c2ccccc2F)cc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is AKUWWMIRQRKHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c1-14-22-19(17-8-4-5-9-18(17)21)12-20(23-14)24-11-10-15-6-2-3-7-16(15)13-24/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 319.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4550940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).