2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline

C15H17N3 — CID 105379418

IUPAC2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(Cc3cncnc3)ccc2N1
InChIInChI=1S/C15H17N3/c1-11-2-4-14-7-12(3-5-15(14)18-11)6-13-8-16-10-17-9-13/h3,5,7-11,18H,2,4,6H2,1H3
InChIKeyFZCUVEWWJVJZRT-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.81
Rot. Bonds2

About 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline

2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105379418) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID105379418
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(Cc3cncnc3)ccc2N1
InChIInChI=1S/C15H17N3/c1-11-2-4-14-7-12(3-5-15(14)18-11)6-13-8-16-10-17-9-13/h3,5,7-11,18H,2,4,6H2,1H3
InChIKeyFZCUVEWWJVJZRT-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 103131685
6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780140
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106779904
2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379430
6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379441
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline
CID 106778090
6-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379498
6-[2-(2-methoxyphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379417
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 105379418) is 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(Cc3cncnc3)ccc2N1.
What is the InChIKey of 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FZCUVEWWJVJZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-2-4-14-7-12(3-5-15(14)18-11)6-13-8-16-10-17-9-13/h3,5,7-11,18H,2,4,6H2,1H3.
What are the key properties of 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline?
2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 239.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105379418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).