5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

C12H16ClN3OS — CID 82066304

IUPAC5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1cc2c(NCCCCCO)nc(Cl)nc2s1
InChIInChI=1S/C12H16ClN3OS/c1-8-7-9-10(14-5-3-2-4-6-17)15-12(13)16-11(9)18-8/h7,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyXQVMEBOQMDODDI-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.23
Rot. Bonds6

About 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol

5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 82066304) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
PubChem CID82066304
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
SMILESCc1cc2c(NCCCCCO)nc(Cl)nc2s1
InChIInChI=1S/C12H16ClN3OS/c1-8-7-9-10(14-5-3-2-4-6-17)15-12(13)16-11(9)18-8/h7,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyXQVMEBOQMDODDI-UHFFFAOYSA-N
XLogP3.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-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-[3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propoxy]ethanol
CID 114171977
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 103322070
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513
2-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196384
[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103322245
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 114188160
2-chloro-6-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321462

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol (CID 82066304) is 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is Cc1cc2c(NCCCCCO)nc(Cl)nc2s1.
What is the InChIKey of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is XQVMEBOQMDODDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-8-7-9-10(14-5-3-2-4-6-17)15-12(13)16-11(9)18-8/h7,17H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol?
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 285.80 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 82066304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).