2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol

C11H16ClN3O2 — CID 174159313

IUPAC2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol
SMILESCc1c(Cl)nc(CCO)nc1N1CCOCC1
InChIInChI=1S/C11H16ClN3O2/c1-8-10(12)13-9(2-5-16)14-11(8)15-3-6-17-7-4-15/h16H,2-7H2,1H3
InChIKeyIHDSUNUAPVDNDR-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol

2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol (PubChem CID 174159313) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol
PubChem CID174159313
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol
SMILESCc1c(Cl)nc(CCO)nc1N1CCOCC1
InChIInChI=1S/C11H16ClN3O2/c1-8-10(12)13-9(2-5-16)14-11(8)15-3-6-17-7-4-15/h16H,2-7H2,1H3
InChIKeyIHDSUNUAPVDNDR-UHFFFAOYSA-N
XLogP0.81
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol (CID 174159313) is 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol is Cc1c(Cl)nc(CCO)nc1N1CCOCC1.
What is the InChIKey of 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol?
The InChIKey is IHDSUNUAPVDNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8-10(12)13-9(2-5-16)14-11(8)15-3-6-17-7-4-15/h16H,2-7H2,1H3.
What are the key properties of 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol?
2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol has a molecular weight of 257.72 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)ethanol is sourced from PubChem (CID 174159313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).