isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol

C15H13N3O — CID 103143046

IUPACisoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cccc3ccncc23)n1
InChIInChI=1S/C15H13N3O/c1-10-17-8-6-14(18-10)15(19)12-4-2-3-11-5-7-16-9-13(11)12/h2-9,15,19H,1H3
InChIKeyMNJIJDIMCCCIQW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.41
Rot. Bonds2

About isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol

isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol (PubChem CID 103143046) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
PubChem CID103143046
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Nameisoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cccc3ccncc23)n1
InChIInChI=1S/C15H13N3O/c1-10-17-8-6-14(18-10)15(19)12-4-2-3-11-5-7-16-9-13(11)12/h2-9,15,19H,1H3
InChIKeyMNJIJDIMCCCIQW-UHFFFAOYSA-N
XLogP2.41
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527932
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527894
1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530639
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
isoquinolin-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105094562
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol (CID 103143046) is isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)c2cccc3ccncc23)n1.
What is the InChIKey of isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is MNJIJDIMCCCIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-17-8-6-14(18-10)15(19)12-4-2-3-11-5-7-16-9-13(11)12/h2-9,15,19H,1H3.
What are the key properties of isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol?
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 251.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 103143046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).