(1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol

C10H14ClN3O2 — CID 167141796

IUPAC(1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol
SMILESC[C@H](O)c1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C10H14ClN3O2/c1-7(15)8-9(11)12-6-13-10(8)14-2-4-16-5-3-14/h6-7,15H,2-5H2,1H3/t7-/m0/s1
InChIKeyWRIWKSRHWSQXBM-ZETCQYMHSA-N
MW243.69 g/mol
LogP1.02
Rot. Bonds2

About (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol

(1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol (PubChem CID 167141796) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol
PubChem CID167141796
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name(1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol
SMILESC[C@H](O)c1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C10H14ClN3O2/c1-7(15)8-9(11)12-6-13-10(8)14-2-4-16-5-3-14/h6-7,15H,2-5H2,1H3/t7-/m0/s1
InChIKeyWRIWKSRHWSQXBM-ZETCQYMHSA-N
XLogP1.02
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol?
The IUPAC name of (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol (CID 167141796) is (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol?
The canonical SMILES for (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol is C[C@H](O)c1c(Cl)ncnc1N1CCOCC1.
What is the InChIKey of (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol?
The InChIKey is WRIWKSRHWSQXBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7(15)8-9(11)12-6-13-10(8)14-2-4-16-5-3-14/h6-7,15H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol?
(1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol has a molecular weight of 243.69 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 167141796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).