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

C10H13N3O3S — CID 114008836

IUPAC2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ncnc2sccc12
InChIInChI=1S/C10H13N3O3S/c14-3-10(4-15,5-16)13-8-7-1-2-17-9(7)12-6-11-8/h1-2,6,14-16H,3-5H2,(H,11,12,13)
InChIKeyGUOIJVASBBYZGE-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.18
Rot. Bonds5

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

2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol (PubChem CID 114008836) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
PubChem CID114008836
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ncnc2sccc12
InChIInChI=1S/C10H13N3O3S/c14-3-10(4-15,5-16)13-8-7-1-2-17-9(7)12-6-11-8/h1-2,6,14-16H,3-5H2,(H,11,12,13)
InChIKeyGUOIJVASBBYZGE-UHFFFAOYSA-N
XLogP-0.18
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500
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
3,3,3-trifluoro-2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 79798021
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194
4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
CID 103746152
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
2,2-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropanehydrazide
CID 2808621

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol (CID 114008836) is 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol is OCC(CO)(CO)Nc1ncnc2sccc12.
What is the InChIKey of 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
The InChIKey is GUOIJVASBBYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-3-10(4-15,5-16)13-8-7-1-2-17-9(7)12-6-11-8/h1-2,6,14-16H,3-5H2,(H,11,12,13).
What are the key properties of 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol has a molecular weight of 255.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol is sourced from PubChem (CID 114008836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).