4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine

C8H9ClFN3S — CID 79080416

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine
SMILESFc1cnc(Cl)nc1N1CCSCC1
InChIInChI=1S/C8H9ClFN3S/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyYWYMUJYAXBPYON-UHFFFAOYSA-N
MW233.70 g/mol
LogP1.82
Rot. Bonds1

About 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine (PubChem CID 79080416) has the molecular formula C8H9ClFN3S and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine
PubChem CID79080416
Molecular FormulaC8H9ClFN3S
Molecular Weight233.70 g/mol
Exact Mass233.02
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine
SMILESFc1cnc(Cl)nc1N1CCSCC1
InChIInChI=1S/C8H9ClFN3S/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyYWYMUJYAXBPYON-UHFFFAOYSA-N
XLogP1.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine (CID 79080416) is 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine is Fc1cnc(Cl)nc1N1CCSCC1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine?
The InChIKey is YWYMUJYAXBPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3S/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine has a molecular weight of 233.70 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 79080416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).