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

C17H17N3 — CID 87129836

IUPAC6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline
SMILESC1=NCCc2cc(-c3cnc(C4CCC4)nc3)ccc21
InChIInChI=1S/C17H17N3/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
InChIKeyAYERDOYXLQKOJF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.39
Rot. Bonds2

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

6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline (PubChem CID 87129836) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline
PubChem CID87129836
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline
SMILESC1=NCCc2cc(-c3cnc(C4CCC4)nc3)ccc21
InChIInChI=1S/C17H17N3/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
InChIKeyAYERDOYXLQKOJF-UHFFFAOYSA-N
XLogP3.39
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride
CID 173013189
3,4-dihydroisoquinoline;sulfane
CID 87761448
6-(2-methylpropoxy)-3,4-dihydroisoquinoline
CID 19748099
2-cyclobutylpyrimidine
CID 18329571
2-cyclopentylpyrimidin-5-ol
CID 20542594
2-cyclopentylpyrimidine-5-carbaldehyde
CID 58228458
2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(4-methylphenyl)pyrimidine
CID 21359920
5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum
CID 161025882
2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
CID 115023151
2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 99962691
3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine
CID 126557350
3-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline
CID 91488150

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline (CID 87129836) is 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline is C1=NCCc2cc(-c3cnc(C4CCC4)nc3)ccc21.
What is the InChIKey of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline?
The InChIKey is AYERDOYXLQKOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/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.
What are the key properties of 6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline?
6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline has a molecular weight of 263.34 g/mol, XLogP of 3.39, 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 is sourced from PubChem (CID 87129836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).