(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol

C17H17N3O — CID 103431263

IUPAC(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(-c2cc(C)c3ccccc3n2)ncc1[C@@H](C)O
InChIInChI=1S/C17H17N3O/c1-10-8-16(20-15-7-5-4-6-13(10)15)17-18-9-14(12(3)21)11(2)19-17/h4-9,12,21H,1-3H3/t12-/m1/s1
InChIKeyUPOSVFNSTAMLOA-GFCCVEGCSA-N
MW279.34 g/mol
LogP3.36
Rot. Bonds2

About (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol

(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol (PubChem CID 103431263) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
PubChem CID103431263
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(-c2cc(C)c3ccccc3n2)ncc1[C@@H](C)O
InChIInChI=1S/C17H17N3O/c1-10-8-16(20-15-7-5-4-6-13(10)15)17-18-9-14(12(3)21)11(2)19-17/h4-9,12,21H,1-3H3/t12-/m1/s1
InChIKeyUPOSVFNSTAMLOA-GFCCVEGCSA-N
XLogP3.36
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol (CID 103431263) is (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol is Cc1nc(-c2cc(C)c3ccccc3n2)ncc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol?
The InChIKey is UPOSVFNSTAMLOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-8-16(20-15-7-5-4-6-13(10)15)17-18-9-14(12(3)21)11(2)19-17/h4-9,12,21H,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol?
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol has a molecular weight of 279.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).