4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine

C11H15Cl2N3S — CID 166128539

IUPAC4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine
SMILESCC(C)c1nc(Cl)c(Cl)c(N2CCSCC2)n1
InChIInChI=1S/C11H15Cl2N3S/c1-7(2)10-14-9(13)8(12)11(15-10)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3
InChIKeyFDGJZGCVLCHVQM-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.46
Rot. Bonds2

About 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine

4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine (PubChem CID 166128539) has the molecular formula C11H15Cl2N3S and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine
PubChem CID166128539
Molecular FormulaC11H15Cl2N3S
Molecular Weight292.24 g/mol
Exact Mass291.04
IUPAC Name4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine
SMILESCC(C)c1nc(Cl)c(Cl)c(N2CCSCC2)n1
InChIInChI=1S/C11H15Cl2N3S/c1-7(2)10-14-9(13)8(12)11(15-10)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3
InChIKeyFDGJZGCVLCHVQM-UHFFFAOYSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine (CID 166128539) is 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine is CC(C)c1nc(Cl)c(Cl)c(N2CCSCC2)n1.
What is the InChIKey of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine?
The InChIKey is FDGJZGCVLCHVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3S/c1-7(2)10-14-9(13)8(12)11(15-10)16-3-5-17-6-4-16/h7H,3-6H2,1-2H3.
What are the key properties of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine?
4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine has a molecular weight of 292.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 166128539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).