4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine

C10H13ClFN3S — CID 79075799

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2nc(Cl)ncc2F)CC(C)S1
InChIInChI=1S/C10H13ClFN3S/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5H2,1-2H3
InChIKeyMQDTWCLIAYCCKX-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.60
Rot. Bonds1

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine (PubChem CID 79075799) has the molecular formula C10H13ClFN3S and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine
PubChem CID79075799
Molecular FormulaC10H13ClFN3S
Molecular Weight261.75 g/mol
Exact Mass261.05
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine
SMILESCC1CN(c2nc(Cl)ncc2F)CC(C)S1
InChIInChI=1S/C10H13ClFN3S/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5H2,1-2H3
InChIKeyMQDTWCLIAYCCKX-UHFFFAOYSA-N
XLogP2.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.60
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)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine (CID 79075799) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine is CC1CN(c2nc(Cl)ncc2F)CC(C)S1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine?
The InChIKey is MQDTWCLIAYCCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3S/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylthiomorpholine has a molecular weight of 261.75 g/mol, XLogP of 2.60, 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)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 79075799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).