2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

C12H14ClN3O2S2 — CID 103320494

IUPAC2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCS(=O)(=O)C3)nc(Cl)nc2s1
InChIInChI=1S/C12H14ClN3O2S2/c1-2-8-5-9-10(15-12(13)16-11(9)19-8)14-7-3-4-20(17,18)6-7/h5,7H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyWMQNHDDKSVVKLT-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320494) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103320494
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCS(=O)(=O)C3)nc(Cl)nc2s1
InChIInChI=1S/C12H14ClN3O2S2/c1-2-8-5-9-10(15-12(13)16-11(9)19-8)14-7-3-4-20(17,18)6-7/h5,7H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyWMQNHDDKSVVKLT-UHFFFAOYSA-N
XLogP2.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320730
2-chloro-N-(2,2-dimethylcyclohexyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103322099
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324303
2-chloro-6-ethyl-N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321891
[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 115337316
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103322667
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
2-chloro-6-ethyl-N-[2-(oxolan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321269
6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324441

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 103320494) is 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC3CCS(=O)(=O)C3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WMQNHDDKSVVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-2-8-5-9-10(15-12(13)16-11(9)19-8)14-7-3-4-20(17,18)6-7/h5,7H,2-4,6H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 331.85 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).