4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine

C9H12ClN3OS — CID 86673505

IUPAC4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine
SMILESCSc1cnc(Cl)nc1N1CCOCC1
InChIInChI=1S/C9H12ClN3OS/c1-15-7-6-11-9(10)12-8(7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKeyWTQOCONKGFNCCE-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.69
Rot. Bonds2

About 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine

4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine (PubChem CID 86673505) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine
PubChem CID86673505
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine
SMILESCSc1cnc(Cl)nc1N1CCOCC1
InChIInChI=1S/C9H12ClN3OS/c1-15-7-6-11-9(10)12-8(7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKeyWTQOCONKGFNCCE-UHFFFAOYSA-N
XLogP1.69
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine (CID 86673505) is 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine is CSc1cnc(Cl)nc1N1CCOCC1.
What is the InChIKey of 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine?
The InChIKey is WTQOCONKGFNCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-15-7-6-11-9(10)12-8(7)13-2-4-14-5-3-13/h6H,2-5H2,1H3.
What are the key properties of 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine?
4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine has a molecular weight of 245.73 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylsulfanylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 86673505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).