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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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
4-Chlorothieno[3,2-d]pyrimidine
CID 2735821
2,4-Dichlorothieno[3,2-d]pyrimidine
CID 12712832
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
Thieno[3,2-d]pyrimidine, 2-chloro-4-(2-thienyl)-
CID 44449257
2-Ethyl-4-thiophen-2-ylthieno[3,2-d]pyrimidine
CID 44449258
2-(Methylsulfanyl)-4-morpholinothieno[3,2-d]pyrimidine
CID 1481012
3-[methyl-[2-[methyl-(1-Methylpiperidin-4-Yl)amino]thieno[3,2-D]pyrimidin-4-Yl]amino]propanenitrile
CID 75277375
3-[[2-[3-(Dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027019
3-[Methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
CID 146027021
3-[[2-[(1-Ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027022
7-Methyl-4-piperidinothieno[3,2-d]pyrimidine
CID 2808064

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).