(1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol

C11H16N2O2S — CID 103431480

IUPAC(1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C2CSCCO2)ncc1[C@H](C)O
InChIInChI=1S/C11H16N2O2S/c1-7-9(8(2)14)5-12-11(13-7)10-6-16-4-3-15-10/h5,8,10,14H,3-4,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyNFJRYBBYNCNZJL-PEHGTWAWSA-N
MW240.33 g/mol
LogP1.64
Rot. Bonds2

About (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol

(1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol (PubChem CID 103431480) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol
PubChem CID103431480
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1nc(C2CSCCO2)ncc1[C@H](C)O
InChIInChI=1S/C11H16N2O2S/c1-7-9(8(2)14)5-12-11(13-7)10-6-16-4-3-15-10/h5,8,10,14H,3-4,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyNFJRYBBYNCNZJL-PEHGTWAWSA-N
XLogP1.64
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol (CID 103431480) is (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol is Cc1nc(C2CSCCO2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol?
The InChIKey is NFJRYBBYNCNZJL-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-9(8(2)14)5-12-11(13-7)10-6-16-4-3-15-10/h5,8,10,14H,3-4,6H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol?
(1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol has a molecular weight of 240.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).