2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol

C11H15N3O2S — CID 103738500

IUPAC2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncnc2sccc12
InChIInChI=1S/C11H15N3O2S/c1-2-11(5-15,6-16)14-9-8-3-4-17-10(8)13-7-12-9/h3-4,7,15-16H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyPLDNZVHFSHRUHJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.24
Rot. Bonds5

About 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol

2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol (PubChem CID 103738500) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
PubChem CID103738500
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncnc2sccc12
InChIInChI=1S/C11H15N3O2S/c1-2-11(5-15,6-16)14-9-8-3-4-17-10(8)13-7-12-9/h3-4,7,15-16H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyPLDNZVHFSHRUHJ-UHFFFAOYSA-N
XLogP1.24
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 114008836
2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 103333442
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 61265918
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
4-methyl-4-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 62044633
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864539
3,3,3-trifluoro-2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 79798021
4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
CID 103746152
2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
CID 107866128
N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide
CID 166244358
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol (CID 103738500) is 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol is CCC(CO)(CO)Nc1ncnc2sccc12.
What is the InChIKey of 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
The InChIKey is PLDNZVHFSHRUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-11(5-15,6-16)14-9-8-3-4-17-10(8)13-7-12-9/h3-4,7,15-16H,2,5-6H2,1H3,(H,12,13,14).
What are the key properties of 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol has a molecular weight of 253.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol is sourced from PubChem (CID 103738500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).