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

C13H17N3OS — CID 123828664

IUPAC4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1csc2ncnc(NC3CCC(O)CC3)c12
InChIInChI=1S/C13H17N3OS/c1-8-6-18-13-11(8)12(14-7-15-13)16-9-2-4-10(17)5-3-9/h6-7,9-10,17H,2-5H2,1H3,(H,14,15,16)
InChIKeyADCBQMVMZANGBV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.72
Rot. Bonds2

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

4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 123828664) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID123828664
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1csc2ncnc(NC3CCC(O)CC3)c12
InChIInChI=1S/C13H17N3OS/c1-8-6-18-13-11(8)12(14-7-15-13)16-9-2-4-10(17)5-3-9/h6-7,9-10,17H,2-5H2,1H3,(H,14,15,16)
InChIKeyADCBQMVMZANGBV-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 59232479
N-[4-(2-aminoethyl)cyclohexyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 143957177
N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 143957207
sodium 2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 22719601
3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol
CID 138054558
4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
CID 56816066
N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 15985925
4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 62318881
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 102686178
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
N-cycloheptyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686255
N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130698432

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 123828664) is 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is Cc1csc2ncnc(NC3CCC(O)CC3)c12.
What is the InChIKey of 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is ADCBQMVMZANGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-6-18-13-11(8)12(14-7-15-13)16-9-2-4-10(17)5-3-9/h6-7,9-10,17H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 123828664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).