(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol

C15H13N3O — CID 115527954

IUPAC(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
SMILESCc1nccc(C(O)c2cccc3cccnc23)n1
InChIInChI=1S/C15H13N3O/c1-10-16-9-7-13(18-10)15(19)12-6-2-4-11-5-3-8-17-14(11)12/h2-9,15,19H,1H3
InChIKeyFNAGCUDRTFPSSJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.41
Rot. Bonds2

About (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol

(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol (PubChem CID 115527954) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
PubChem CID115527954
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
SMILESCc1nccc(C(O)c2cccc3cccnc23)n1
InChIInChI=1S/C15H13N3O/c1-10-16-9-7-13(18-10)15(19)12-6-2-4-11-5-3-8-17-14(11)12/h2-9,15,19H,1H3
InChIKeyFNAGCUDRTFPSSJ-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
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527894
(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 115527988
(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
CID 105118765
(2-methylpyrimidin-4-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115527943
quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol
CID 81219926
8-(dichloromethyl)quinoline
CID 19989328
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol?
The IUPAC name of (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol (CID 115527954) is (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol?
The canonical SMILES for (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol is Cc1nccc(C(O)c2cccc3cccnc23)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol?
The InChIKey is FNAGCUDRTFPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-16-9-7-13(18-10)15(19)12-6-2-4-11-5-3-8-17-14(11)12/h2-9,15,19H,1H3.
What are the key properties of (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol?
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol 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 (2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol is sourced from PubChem (CID 115527954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).