3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C12H16N4O2S — CID 106103480

IUPAC3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(N)nc2sccc12
InChIInChI=1S/C12H16N4O2S/c1-7-12(17,3-4-18-7)6-14-9-8-2-5-19-10(8)16-11(13)15-9/h2,5,7,17H,3-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyUWDMIKSDHHVNTP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.23
Rot. Bonds3

About 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103480) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103480
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(N)nc2sccc12
InChIInChI=1S/C12H16N4O2S/c1-7-12(17,3-4-18-7)6-14-9-8-2-5-19-10(8)16-11(13)15-9/h2,5,7,17H,3-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyUWDMIKSDHHVNTP-UHFFFAOYSA-N
XLogP1.23
TPSA93.29 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 ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106103480) is 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1nc(N)nc2sccc12.
What is the InChIKey of 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is UWDMIKSDHHVNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-12(17,3-4-18-7)6-14-9-8-2-5-19-10(8)16-11(13)15-9/h2,5,7,17H,3-4,6H2,1H3,(H3,13,14,15,16).
What are the key properties of 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 280.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).