1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol

C12H16N4O2S — CID 106674469

IUPAC1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCNc1nc(N2CC(O)C(O)C2)c2ccsc2n1
InChIInChI=1S/C12H16N4O2S/c1-2-13-12-14-10(7-3-4-19-11(7)15-12)16-5-8(17)9(18)6-16/h3-4,8-9,17-18H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyLWKNKBMWORQOCB-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.66
Rot. Bonds3

About 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol

1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674469) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674469
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCNc1nc(N2CC(O)C(O)C2)c2ccsc2n1
InChIInChI=1S/C12H16N4O2S/c1-2-13-12-14-10(7-3-4-19-11(7)15-12)16-5-8(17)9(18)6-16/h3-4,8-9,17-18H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyLWKNKBMWORQOCB-UHFFFAOYSA-N
XLogP0.66
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.66
H-Bond Donors ≤ 53
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
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-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103325159
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327814
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
[4-(3,4,5-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335844
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 103329709
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103325584

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674469) is 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol is CCNc1nc(N2CC(O)C(O)C2)c2ccsc2n1.
What is the InChIKey of 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is LWKNKBMWORQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-13-12-14-10(7-3-4-19-11(7)15-12)16-5-8(17)9(18)6-16/h3-4,8-9,17-18H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 280.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).