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

C13H19N3OS — CID 133434436

IUPAC6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCc1cc2c(NCCCCCCO)ncnc2s1
InChIInChI=1S/C13H19N3OS/c1-10-8-11-12(15-9-16-13(11)18-10)14-6-4-2-3-5-7-17/h8-9,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyIKWJGCFEIPPSIE-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.96
Rot. Bonds7

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

6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 133434436) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
PubChem CID133434436
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCc1cc2c(NCCCCCCO)ncnc2s1
InChIInChI=1S/C13H19N3OS/c1-10-8-11-12(15-9-16-13(11)18-10)14-6-4-2-3-5-7-17/h8-9,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyIKWJGCFEIPPSIE-UHFFFAOYSA-N
XLogP2.96
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.96
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-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409616
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 133408802
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39162372
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
N-[2-(chloromethyl)-2-ethylbutyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106252993
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol (CID 133434436) is 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol is Cc1cc2c(NCCCCCCO)ncnc2s1.
What is the InChIKey of 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is IKWJGCFEIPPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-8-11-12(15-9-16-13(11)18-10)14-6-4-2-3-5-7-17/h8-9,17H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol?
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 133434436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).