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

C13H18ClN3OS — CID 114145573

IUPAC3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H18ClN3OS/c1-2-3-9(4-6-18)8-15-11-10-5-7-19-12(10)17-13(14)16-11/h5,7,9,18H,2-4,6,8H2,1H3,(H,15,16,17)
InChIKeyHSFIQMCCDZLSQB-UHFFFAOYSA-N
MW299.83 g/mol
LogP3.56
Rot. Bonds7

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

3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 114145573) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID114145573
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(Cl)nc2sccc12
InChIInChI=1S/C13H18ClN3OS/c1-2-3-9(4-6-18)8-15-11-10-5-7-19-12(10)17-13(14)16-11/h5,7,9,18H,2-4,6,8H2,1H3,(H,15,16,17)
InChIKeyHSFIQMCCDZLSQB-UHFFFAOYSA-N
XLogP3.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-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

2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103328737
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457
2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114109137
2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321359

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 114145573) is 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(Cl)nc2sccc12.
What is the InChIKey of 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is HSFIQMCCDZLSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-2-3-9(4-6-18)8-15-11-10-5-7-19-12(10)17-13(14)16-11/h5,7,9,18H,2-4,6,8H2,1H3,(H,15,16,17).
What are the key properties of 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 299.83 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 114145573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).