6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C23H24ClF2N3 — CID 142683230

IUPAC6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1nc(Cc2ccc(F)cc2)nc(N2CCc3cc(F)ccc3C2C)c1C.Cl
InChIInChI=1S/C23H23F2N3.ClH/c1-14-15(2)26-22(12-17-4-6-19(24)7-5-17)27-23(14)28-11-10-18-13-20(25)8-9-21(18)16(28)3;/h4-9,13,16H,10-12H2,1-3H3;1H
InChIKeyNXVOUFBPZIKTGW-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.51
Rot. Bonds3

About 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 142683230) has the molecular formula C23H24ClF2N3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID142683230
Molecular FormulaC23H24ClF2N3
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCc1nc(Cc2ccc(F)cc2)nc(N2CCc3cc(F)ccc3C2C)c1C.Cl
InChIInChI=1S/C23H23F2N3.ClH/c1-14-15(2)26-22(12-17-4-6-19(24)7-5-17)27-23(14)28-11-10-18-13-20(25)8-9-21(18)16(28)3;/h4-9,13,16H,10-12H2,1-3H3;1H
InChIKeyNXVOUFBPZIKTGW-UHFFFAOYSA-N
XLogP5.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
CID 52943247
(1S)-2-[2-[(4-chlorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683214
6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
CID 142683213
2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683227
[4-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylpyrimidin-2-yl]-(4-fluorophenyl)methanol
CID 52942738
N-(4-fluoro-2-methylphenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
CID 18921674
2-[2-[1-(4-fluorophenyl)cyclopropyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683168
4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride
CID 18315783
2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline
CID 67142082
4-(6-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-phenylpyrimidin-2-amine;hydrochloride
CID 18613791
[2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl] 4-tert-butylbenzoate
CID 18315676
2-[2-(4-fluoroanilino)-5-(hydroxymethyl)-6-methylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 18315654

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 142683230) is 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is Cc1nc(Cc2ccc(F)cc2)nc(N2CCc3cc(F)ccc3C2C)c1C.Cl.
What is the InChIKey of 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is NXVOUFBPZIKTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3.ClH/c1-14-15(2)26-22(12-17-4-6-19(24)7-5-17)27-23(14)28-11-10-18-13-20(25)8-9-21(18)16(28)3;/h4-9,13,16H,10-12H2,1-3H3;1H.
What are the key properties of 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 142683230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).