(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol

C12H18N2O2 — CID 103431590

IUPAC(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(CC2CCOC2)ncc1[C@H](C)O
InChIInChI=1S/C12H18N2O2/c1-8-11(9(2)15)6-13-12(14-8)5-10-3-4-16-7-10/h6,9-10,15H,3-5,7H2,1-2H3/t9-,10?/m0/s1
InChIKeyXIFOMBILXHTOFI-RGURZIINSA-N
MW222.29 g/mol
LogP1.42
Rot. Bonds3

About (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol

(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol (PubChem CID 103431590) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
PubChem CID103431590
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
SMILESCc1nc(CC2CCOC2)ncc1[C@H](C)O
InChIInChI=1S/C12H18N2O2/c1-8-11(9(2)15)6-13-12(14-8)5-10-3-4-16-7-10/h6,9-10,15H,3-5,7H2,1-2H3/t9-,10?/m0/s1
InChIKeyXIFOMBILXHTOFI-RGURZIINSA-N
XLogP1.42
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol with MolForge

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Related Compounds

N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 103987736
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
CID 113362270
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
CID 62729993
[2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 113362286

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol (CID 103431590) is (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol is Cc1nc(CC2CCOC2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol?
The InChIKey is XIFOMBILXHTOFI-RGURZIINSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-11(9(2)15)6-13-12(14-8)5-10-3-4-16-7-10/h6,9-10,15H,3-5,7H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol?
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol has a molecular weight of 222.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).