6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol

C15H24N4OS — CID 107855237

IUPAC6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCNc1nc(NCCCCCCO)c2ccsc2n1
InChIInChI=1S/C15H24N4OS/c1-2-8-17-15-18-13(12-7-11-21-14(12)19-15)16-9-5-3-4-6-10-20/h7,11,20H,2-6,8-10H2,1H3,(H2,16,17,18,19)
InChIKeyNIRZXSIEWLBMNO-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.48
Rot. Bonds10

About 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol

6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 107855237) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID107855237
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCNc1nc(NCCCCCCO)c2ccsc2n1
InChIInChI=1S/C15H24N4OS/c1-2-8-17-15-18-13(12-7-11-21-14(12)19-15)16-9-5-3-4-6-10-20/h7,11,20H,2-6,8-10H2,1H3,(H2,16,17,18,19)
InChIKeyNIRZXSIEWLBMNO-UHFFFAOYSA-N
XLogP3.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol (CID 107855237) is 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol is CCCNc1nc(NCCCCCCO)c2ccsc2n1.
What is the InChIKey of 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is NIRZXSIEWLBMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-8-17-15-18-13(12-7-11-21-14(12)19-15)16-9-5-3-4-6-10-20/h7,11,20H,2-6,8-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 308.45 g/mol, XLogP of 3.48, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 107855237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).