2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine

C10H10ClN3S2 — CID 119090452

IUPAC2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine
SMILESClc1nc(N2CCSCC2)c2sccc2n1
InChIInChI=1S/C10H10ClN3S2/c11-10-12-7-1-4-16-8(7)9(13-10)14-2-5-15-6-3-14/h1,4H,2-3,5-6H2
InChIKeyWTWPZUHZFJTHDV-UHFFFAOYSA-N
MW271.80 g/mol
LogP2.90
Rot. Bonds1

About 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine

2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine (PubChem CID 119090452) has the molecular formula C10H10ClN3S2 and a molecular weight of 271.80 g/mol. Its IUPAC name is 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine
PubChem CID119090452
Molecular FormulaC10H10ClN3S2
Molecular Weight271.80 g/mol
Exact Mass271.00
IUPAC Name2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine
SMILESClc1nc(N2CCSCC2)c2sccc2n1
InChIInChI=1S/C10H10ClN3S2/c11-10-12-7-1-4-16-8(7)9(13-10)14-2-5-15-6-3-14/h1,4H,2-3,5-6H2
InChIKeyWTWPZUHZFJTHDV-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine (CID 119090452) is 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine is Clc1nc(N2CCSCC2)c2sccc2n1.
What is the InChIKey of 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine?
The InChIKey is WTWPZUHZFJTHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S2/c11-10-12-7-1-4-16-8(7)9(13-10)14-2-5-15-6-3-14/h1,4H,2-3,5-6H2.
What are the key properties of 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine?
2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine has a molecular weight of 271.80 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-thiomorpholin-4-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 119090452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).