4-(6-chloropyrimidin-4-yl)thiomorpholine

C8H10ClN3S — CID 50743366

IUPAC4-(6-chloropyrimidin-4-yl)thiomorpholine
SMILESClc1cc(N2CCSCC2)ncn1
InChIInChI=1S/C8H10ClN3S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyNDRVAVOINNYSNQ-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.68
Rot. Bonds1

About 4-(6-chloropyrimidin-4-yl)thiomorpholine

4-(6-chloropyrimidin-4-yl)thiomorpholine (PubChem CID 50743366) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 4-(6-chloropyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(6-chloropyrimidin-4-yl)thiomorpholine
PubChem CID50743366
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name4-(6-chloropyrimidin-4-yl)thiomorpholine
SMILESClc1cc(N2CCSCC2)ncn1
InChIInChI=1S/C8H10ClN3S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyNDRVAVOINNYSNQ-UHFFFAOYSA-N
XLogP1.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(6-chloropyrimidin-4-yl)thiomorpholine (CID 50743366) is 4-(6-chloropyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(6-chloropyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(6-chloropyrimidin-4-yl)thiomorpholine is Clc1cc(N2CCSCC2)ncn1.
What is the InChIKey of 4-(6-chloropyrimidin-4-yl)thiomorpholine?
The InChIKey is NDRVAVOINNYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(6-chloropyrimidin-4-yl)thiomorpholine?
4-(6-chloropyrimidin-4-yl)thiomorpholine has a molecular weight of 215.71 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 50743366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).