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

C23H23ClFN3 — CID 142683213

IUPAC6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(Cc2ccccc2F)nc(N2CCc3cc(Cl)ccc3C2C)c1C
InChIInChI=1S/C23H23ClFN3/c1-14-15(2)26-22(13-18-6-4-5-7-21(18)25)27-23(14)28-11-10-17-12-19(24)8-9-20(17)16(28)3/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyDCVYUTKYDSQRGV-UHFFFAOYSA-N
MW395.91 g/mol
LogP5.60
Rot. Bonds3

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

6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 142683213) has the molecular formula C23H23ClFN3 and a molecular weight of 395.91 g/mol. Its IUPAC name is 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID142683213
Molecular FormulaC23H23ClFN3
Molecular Weight395.91 g/mol
Exact Mass395.16
IUPAC Name6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(Cc2ccccc2F)nc(N2CCc3cc(Cl)ccc3C2C)c1C
InChIInChI=1S/C23H23ClFN3/c1-14-15(2)26-22(13-18-6-4-5-7-21(18)25)27-23(14)28-11-10-17-12-19(24)8-9-20(17)16(28)3/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyDCVYUTKYDSQRGV-UHFFFAOYSA-N
XLogP5.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683227
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-fluoro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683230
4-(6-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethyl-N-phenylpyrimidin-2-amine;hydrochloride
CID 18613791
4-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-difluorophenyl)-5,6-dimethylpyrimidin-2-amine
CID 18613780
4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine;hydrochloride
CID 18315783
N-[4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]propan-1-imine
CID 57100121
N-(4-fluoro-2-methylphenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
CID 18921674
N-butyl-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
CID 18315779
2-[2-[1-(4-fluorophenyl)cyclopropyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142683168
6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 142258016

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline (CID 142683213) is 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline is Cc1nc(Cc2ccccc2F)nc(N2CCc3cc(Cl)ccc3C2C)c1C.
What is the InChIKey of 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is DCVYUTKYDSQRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3/c1-14-15(2)26-22(13-18-6-4-5-7-21(18)25)27-23(14)28-11-10-17-12-19(24)8-9-20(17)16(28)3/h4-9,12,16H,10-11,13H2,1-3H3.
What are the key properties of 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 395.91 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 142683213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).