1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol

C15H17N3O — CID 91234935

IUPAC1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCCc1cnc(C2NCCc3c(O)cccc32)nc1
InChIInChI=1S/C15H17N3O/c1-2-10-8-17-15(18-9-10)14-12-4-3-5-13(19)11(12)6-7-16-14/h3-5,8-9,14,16,19H,2,6-7H2,1H3
InChIKeyMZUNMZMJNYHLJG-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.98
Rot. Bonds2

About 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol

1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 91234935) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID91234935
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESCCc1cnc(C2NCCc3c(O)cccc32)nc1
InChIInChI=1S/C15H17N3O/c1-2-10-8-17-15(18-9-10)14-12-4-3-5-13(19)11(12)6-7-16-14/h3-5,8-9,14,16,19H,2,6-7H2,1H3
InChIKeyMZUNMZMJNYHLJG-UHFFFAOYSA-N
XLogP1.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 91234935) is 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol is CCc1cnc(C2NCCc3c(O)cccc32)nc1.
What is the InChIKey of 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is MZUNMZMJNYHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-10-8-17-15(18-9-10)14-12-4-3-5-13(19)11(12)6-7-16-14/h3-5,8-9,14,16,19H,2,6-7H2,1H3.
What are the key properties of 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 255.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 91234935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).