isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol

C15H13N3O — CID 115527932

IUPACisoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cccc3cnccc23)n1
InChIInChI=1S/C15H13N3O/c1-10-17-8-6-14(18-10)15(19)13-4-2-3-11-9-16-7-5-12(11)13/h2-9,15,19H,1H3
InChIKeyAWVNYNWTCRIJPB-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.41
Rot. Bonds2

About isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol

isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115527932) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
PubChem CID115527932
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Nameisoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cccc3cnccc23)n1
InChIInChI=1S/C15H13N3O/c1-10-17-8-6-14(18-10)15(19)13-4-2-3-11-9-16-7-5-12(11)13/h2-9,15,19H,1H3
InChIKeyAWVNYNWTCRIJPB-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-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530639
isoquinolin-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105094562
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527894

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol (CID 115527932) is isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)c2cccc3cnccc23)n1.
What is the InChIKey of isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is AWVNYNWTCRIJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-17-8-6-14(18-10)15(19)13-4-2-3-11-9-16-7-5-12(11)13/h2-9,15,19H,1H3.
What are the key properties of isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol?
isoquinolin-5-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-5-yl-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115527932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).