2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

C14H14ClN3 — CID 62483560

IUPAC2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(Cl)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H14ClN3/c1-10-16-13(15)8-14(17-10)18-7-6-11-4-2-3-5-12(11)9-18/h2-5,8H,6-7,9H2,1H3
InChIKeyYMYAODYTQABSAR-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.00
Rot. Bonds1

About 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 62483560) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID62483560
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1nc(Cl)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H14ClN3/c1-10-16-13(15)8-14(17-10)18-7-6-11-4-2-3-5-12(11)9-18/h2-5,8H,6-7,9H2,1H3
InChIKeyYMYAODYTQABSAR-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
N-tert-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873827
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695
2-[2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112873821
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 112873848
2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 4550940
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781
N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873893
N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873908
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109371649

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 62483560) is 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is Cc1nc(Cl)cc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is YMYAODYTQABSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-10-16-13(15)8-14(17-10)18-7-6-11-4-2-3-5-12(11)9-18/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 259.74 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 62483560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).