5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

C11H14ClN3OS — CID 107318295

IUPAC5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESOCCCCCNc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c12-11-14-9(13-5-2-1-3-6-16)8-4-7-17-10(8)15-11/h4,7,16H,1-3,5-6H2,(H,13,14,15)
InChIKeyJMHURSAMUDHTPH-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.92
Rot. Bonds6

About 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 107318295) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID107318295
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESOCCCCCNc1nc(Cl)nc2sccc12
InChIInChI=1S/C11H14ClN3OS/c12-11-14-9(13-5-2-1-3-6-16)8-4-7-17-10(8)15-11/h4,7,16H,1-3,5-6H2,(H,13,14,15)
InChIKeyJMHURSAMUDHTPH-UHFFFAOYSA-N
XLogP2.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-methylsulfanylpentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114128756
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
2-chloro-N-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321473
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 103321319
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 107318295) is 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is OCCCCCNc1nc(Cl)nc2sccc12.
What is the InChIKey of 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is JMHURSAMUDHTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c12-11-14-9(13-5-2-1-3-6-16)8-4-7-17-10(8)15-11/h4,7,16H,1-3,5-6H2,(H,13,14,15).
What are the key properties of 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 271.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 107318295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).