2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine

C11H14ClN3S2 — CID 103323107

IUPAC2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCc1cc2c(SCCN(C)C)nc(Cl)nc2s1
InChIInChI=1S/C11H14ClN3S2/c1-7-6-8-9(16-5-4-15(2)3)13-11(12)14-10(8)17-7/h6H,4-5H2,1-3H3
InChIKeyBYOVGCRVJREIEO-UHFFFAOYSA-N
MW287.84 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine

2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine (PubChem CID 103323107) has the molecular formula C11H14ClN3S2 and a molecular weight of 287.84 g/mol. Its IUPAC name is 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
PubChem CID103323107
Molecular FormulaC11H14ClN3S2
Molecular Weight287.84 g/mol
Exact Mass287.03
IUPAC Name2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCc1cc2c(SCCN(C)C)nc(Cl)nc2s1
InChIInChI=1S/C11H14ClN3S2/c1-7-6-8-9(16-5-4-15(2)3)13-11(12)14-10(8)17-7/h6H,4-5H2,1-3H3
InChIKeyBYOVGCRVJREIEO-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidine
CID 107751336
3-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 103323096
4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103322872
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine
CID 107780796
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
2-N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322754
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482198
2-chloro-6-methyl-4-(3-methylcyclohexyl)sulfanylthieno[2,3-d]pyrimidine
CID 103323023
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103320605
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
2-chloro-N-(cyclobutylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103321547

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine (CID 103323107) is 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine is Cc1cc2c(SCCN(C)C)nc(Cl)nc2s1.
What is the InChIKey of 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The InChIKey is BYOVGCRVJREIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S2/c1-7-6-8-9(16-5-4-15(2)3)13-11(12)14-10(8)17-7/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine has a molecular weight of 287.84 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 103323107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).