4-chlorothieno[3,2-d]pyrimidine

C6H3ClN2S — CID 2735821

IUPAC4-chlorothieno[3,2-d]pyrimidine
SMILESClc1ncnc2ccsc12
InChIInChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKeyTWTODSLDHCDLDR-UHFFFAOYSA-N
MW170.62 g/mol
LogP2.34
Rot. Bonds

About 4-chlorothieno[3,2-d]pyrimidine

4-chlorothieno[3,2-d]pyrimidine (PubChem CID 2735821) has the molecular formula C6H3ClN2S and a molecular weight of 170.62 g/mol. Its IUPAC name is 4-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chlorothieno[3,2-d]pyrimidine
PubChem CID2735821
Molecular FormulaC6H3ClN2S
Molecular Weight170.62 g/mol
Exact Mass169.97
IUPAC Name4-chlorothieno[3,2-d]pyrimidine
SMILESClc1ncnc2ccsc12
InChIInChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKeyTWTODSLDHCDLDR-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichlorothieno[3,2-d]pyrimidine
CID 12712832
Thieno[3,2-d]pyrimidine, 2-chloro-4-(2-thienyl)-
CID 44449257
N-(3-chlorophenyl)thieno[3,2-d]pyrimidin-4-amine
CID 57429038
N-methylthieno[3,2-d]pyrimidin-4-amine
CID 23273491
Thieno(3,2-d)pyrimidin-4-amine
CID 11506485
2-Chlorothieno[3,2-d]pyrimidine
CID 45588463
2-Chlorothieno[3,2-d]pyrimidin-4-amine
CID 45789711
Thienopyrimidine
CID 12603004
4-Chloro-6-(4-fluorophenyl)thieno[3,2-d]pyrimidine
CID 622010
4-(4-Chlorophenyl)sulfanylthieno[3,2-d]pyrimidine
CID 2809167
6-tert-Butyl-4-chlorothieno[3,2-d]pyrimidine
CID 2757266
4-Chloro-7-methylthieno(3,2-d)pyrimidine
CID 2777586

Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 4-chlorothieno[3,2-d]pyrimidine (CID 2735821) is 4-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chlorothieno[3,2-d]pyrimidine is Clc1ncnc2ccsc12.
What is the InChIKey of 4-chlorothieno[3,2-d]pyrimidine?
The InChIKey is TWTODSLDHCDLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H.
What are the key properties of 4-chlorothieno[3,2-d]pyrimidine?
4-chlorothieno[3,2-d]pyrimidine has a molecular weight of 170.62 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 2735821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).