2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol

C10H13Cl2N3O2 — CID 118436292

IUPAC2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol
SMILESOCCc1c(Cl)nc(N2CCOCC2)nc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c11-8-7(1-4-16)9(12)14-10(13-8)15-2-5-17-6-3-15/h16H,1-6H2
InChIKeyQODJBSBICPORRW-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.15
Rot. Bonds3

About 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol

2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol (PubChem CID 118436292) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol
PubChem CID118436292
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol
SMILESOCCc1c(Cl)nc(N2CCOCC2)nc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c11-8-7(1-4-16)9(12)14-10(13-8)15-2-5-17-6-3-15/h16H,1-6H2
InChIKeyQODJBSBICPORRW-UHFFFAOYSA-N
XLogP1.15
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol?
The IUPAC name of 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol (CID 118436292) is 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol?
The canonical SMILES for 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol is OCCc1c(Cl)nc(N2CCOCC2)nc1Cl.
What is the InChIKey of 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol?
The InChIKey is QODJBSBICPORRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c11-8-7(1-4-16)9(12)14-10(13-8)15-2-5-17-6-3-15/h16H,1-6H2.
What are the key properties of 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol?
2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol has a molecular weight of 278.14 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-2-morpholin-4-ylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 118436292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).