2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline

C15H17N3 — CID 140988917

IUPAC2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ncc(CN2CCc3ccccc3C2)cn1
InChIInChI=1S/C15H17N3/c1-12-16-8-13(9-17-12)10-18-7-6-14-4-2-3-5-15(14)11-18/h2-5,8-9H,6-7,10-11H2,1H3
InChIKeyBDENCHZXRKARRP-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.34
Rot. Bonds2

About 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 140988917) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID140988917
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ncc(CN2CCc3ccccc3C2)cn1
InChIInChI=1S/C15H17N3/c1-12-16-8-13(9-17-12)10-18-7-6-14-4-2-3-5-15(14)11-18/h2-5,8-9H,6-7,10-11H2,1H3
InChIKeyBDENCHZXRKARRP-UHFFFAOYSA-N
XLogP2.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyridin-3-ol
CID 82974168
[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62471385
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dimethylphenol
CID 45486668
2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 141136072
2,6-dibromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol
CID 107740197
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-fluoroaniline
CID 112645902
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 122244932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 140988917) is 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline is Cc1ncc(CN2CCc3ccccc3C2)cn1.
What is the InChIKey of 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is BDENCHZXRKARRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12-16-8-13(9-17-12)10-18-7-6-14-4-2-3-5-15(14)11-18/h2-5,8-9H,6-7,10-11H2,1H3.
What are the key properties of 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 239.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 140988917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).