1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol

C13H19N3O2S — CID 56684752

IUPAC1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
SMILESCC(C)COCC(O)CNc1ncnc2sccc12
InChIInChI=1S/C13H19N3O2S/c1-9(2)6-18-7-10(17)5-14-12-11-3-4-19-13(11)16-8-15-12/h3-4,8-10,17H,5-7H2,1-2H3,(H,14,15,16)
InChIKeyZZTCOVZWAXMABW-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.14
Rot. Bonds7

About 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol

1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol (PubChem CID 56684752) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
PubChem CID56684752
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
SMILESCC(C)COCC(O)CNc1ncnc2sccc12
InChIInChI=1S/C13H19N3O2S/c1-9(2)6-18-7-10(17)5-14-12-11-3-4-19-13(11)16-8-15-12/h3-4,8-10,17H,5-7H2,1-2H3,(H,14,15,16)
InChIKeyZZTCOVZWAXMABW-UHFFFAOYSA-N
XLogP2.14
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol 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-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
1-(1,3-benzodioxol-5-yloxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
CID 47077160
N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 49226606
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 52677951
N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 71684939
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol (CID 56684752) is 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol is CC(C)COCC(O)CNc1ncnc2sccc12.
What is the InChIKey of 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol?
The InChIKey is ZZTCOVZWAXMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(2)6-18-7-10(17)5-14-12-11-3-4-19-13(11)16-8-15-12/h3-4,8-10,17H,5-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol?
1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol has a molecular weight of 281.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol is sourced from PubChem (CID 56684752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).