4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine

C12H16N4O2S2 — CID 103325159

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCS(=O)(=O)CC2)c2ccsc2n1
InChIInChI=1S/C12H16N4O2S2/c1-2-13-12-14-10(9-3-6-19-11(9)15-12)16-4-7-20(17,18)8-5-16/h3,6H,2,4-5,7-8H2,1H3,(H,13,14,15)
InChIKeyLQQOZRFENXUKCE-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.36
Rot. Bonds3

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103325159) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103325159
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCS(=O)(=O)CC2)c2ccsc2n1
InChIInChI=1S/C12H16N4O2S2/c1-2-13-12-14-10(9-3-6-19-11(9)15-12)16-4-7-20(17,18)8-5-16/h3,6H,2,4-5,7-8H2,1H3,(H,13,14,15)
InChIKeyLQQOZRFENXUKCE-UHFFFAOYSA-N
XLogP1.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327814
N-ethyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323885
N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 103328306
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103325584
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
1-[4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 103323755
4-(3,3-diethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103329016
[4-(1-oxo-1,4-thiazinan-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332909
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103325159) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(N2CCS(=O)(=O)CC2)c2ccsc2n1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is LQQOZRFENXUKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-13-12-14-10(9-3-6-19-11(9)15-12)16-4-7-20(17,18)8-5-16/h3,6H,2,4-5,7-8H2,1H3,(H,13,14,15).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103325159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).