6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride

C17H18ClN3 — CID 173013189

IUPAC6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride
SMILESC1=NCCc2cc(-c3cnc(C4CCC4)nc3)ccc21.Cl
InChIInChI=1S/C17H17N3.ClH/c1-2-12(3-1)17-19-10-16(11-20-17)13-4-5-15-9-18-7-6-14(15)8-13;/h4-5,8-12H,1-3,6-7H2;1H
InChIKeyIZZQKIUWRHKKNC-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.81
Rot. Bonds2

About 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride

6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 173013189) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride
PubChem CID173013189
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride
SMILESC1=NCCc2cc(-c3cnc(C4CCC4)nc3)ccc21.Cl
InChIInChI=1S/C17H17N3.ClH/c1-2-12(3-1)17-19-10-16(11-20-17)13-4-5-15-9-18-7-6-14(15)8-13;/h4-5,8-12H,1-3,6-7H2;1H
InChIKeyIZZQKIUWRHKKNC-UHFFFAOYSA-N
XLogP3.81
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride (CID 173013189) is 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride is C1=NCCc2cc(-c3cnc(C4CCC4)nc3)ccc21.Cl.
What is the InChIKey of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is IZZQKIUWRHKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.ClH/c1-2-12(3-1)17-19-10-16(11-20-17)13-4-5-15-9-18-7-6-14(15)8-13;/h4-5,8-12H,1-3,6-7H2;1H.
What are the key properties of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride?
6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 173013189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).