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

C11H15N3OS — CID 115622916

IUPAC1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
SMILESCCCC(O)CNc1ncnc2sccc12
InChIInChI=1S/C11H15N3OS/c1-2-3-8(15)6-12-10-9-4-5-16-11(9)14-7-13-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyIQPHEPYGPHOVPN-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.26
Rot. Bonds5

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

1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol (PubChem CID 115622916) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
PubChem CID115622916
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
SMILESCCCC(O)CNc1ncnc2sccc12
InChIInChI=1S/C11H15N3OS/c1-2-3-8(15)6-12-10-9-4-5-16-11(9)14-7-13-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyIQPHEPYGPHOVPN-UHFFFAOYSA-N
XLogP2.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol with MolForge

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Related Compounds

1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
CID 56684752
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 49226606
[(1S)-1-(4-ethylphenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]-dimethylazanium
CID 9107842
N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 71684939
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 52677951

Frequently Asked Questions

What is the IUPAC name of 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol?
The IUPAC name of 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol (CID 115622916) is 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol.
What is the SMILES notation for 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol?
The canonical SMILES for 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol is CCCC(O)CNc1ncnc2sccc12.
What is the InChIKey of 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol?
The InChIKey is IQPHEPYGPHOVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-3-8(15)6-12-10-9-4-5-16-11(9)14-7-13-10/h4-5,7-8,15H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol?
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol has a molecular weight of 237.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol is sourced from PubChem (CID 115622916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).