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

C13H18N4O2S — CID 106673897

IUPAC1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
SMILESCCNc1nc(CN2CC(O)C(O)C2)nc2sccc12
InChIInChI=1S/C13H18N4O2S/c1-2-14-12-8-3-4-20-13(8)16-11(15-12)7-17-5-9(18)10(19)6-17/h3-4,9-10,18-19H,2,5-7H2,1H3,(H,14,15,16)
InChIKeyIRTNFXPHTWMLDO-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.66
Rot. Bonds4

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

1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 106673897) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
PubChem CID106673897
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
SMILESCCNc1nc(CN2CC(O)C(O)C2)nc2sccc12
InChIInChI=1S/C13H18N4O2S/c1-2-14-12-8-3-4-20-13(8)16-11(15-12)7-17-5-9(18)10(19)6-17/h3-4,9-10,18-19H,2,5-7H2,1H3,(H,14,15,16)
InChIKeyIRTNFXPHTWMLDO-UHFFFAOYSA-N
XLogP0.66
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 104960510
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62207342
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62181908
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol (CID 106673897) is 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol is CCNc1nc(CN2CC(O)C(O)C2)nc2sccc12.
What is the InChIKey of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is IRTNFXPHTWMLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-14-12-8-3-4-20-13(8)16-11(15-12)7-17-5-9(18)10(19)6-17/h3-4,9-10,18-19H,2,5-7H2,1H3,(H,14,15,16).
What are the key properties of 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol has a molecular weight of 294.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).