8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline

C14H14FN3 — CID 91551286

IUPAC8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(-c3cncnc3)c(F)c2C1
InChIInChI=1S/C14H14FN3/c1-18-5-4-10-2-3-12(14(15)13(10)8-18)11-6-16-9-17-7-11/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeySIXLJIREVNRLAB-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.27
Rot. Bonds1

About 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline

8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 91551286) has the molecular formula C14H14FN3 and a molecular weight of 243.29 g/mol. Its IUPAC name is 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
PubChem CID91551286
Molecular FormulaC14H14FN3
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC Name8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccc(-c3cncnc3)c(F)c2C1
InChIInChI=1S/C14H14FN3/c1-18-5-4-10-2-3-12(14(15)13(10)8-18)11-6-16-9-17-7-11/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeySIXLJIREVNRLAB-UHFFFAOYSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
CID 10035152
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 84664224
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671
7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
CID 84666615
2,8-dimethyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile
CID 82405719
7-[5-(2-ethyl-6-fluorophenyl)-6-methylidene-1H-pyrazolo[4,3-c]pyridazin-3-yl]-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170238100
2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 59534446
2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 134480347
5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 155584433
8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 23344309
8-fluoro-7-methyl-2-(5-pyridin-4-yl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 166359802
5-(3-ethyl-2-fluorophenyl)pyrimidine
CID 126670993

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline (CID 91551286) is 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline is CN1CCc2ccc(-c3cncnc3)c(F)c2C1.
What is the InChIKey of 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is SIXLJIREVNRLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-18-5-4-10-2-3-12(14(15)13(10)8-18)11-6-16-9-17-7-11/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 243.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 91551286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).