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

C13H17N3OS — CID 102635901

IUPAC2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCN(c1ncnc2ccsc12)C1CCCCC1O
InChIInChI=1S/C13H17N3OS/c1-16(10-4-2-3-5-11(10)17)13-12-9(6-7-18-12)14-8-15-13/h6-8,10-11,17H,2-5H2,1H3
InChIKeyCRTNAMWBOUMICB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.43
Rot. Bonds2

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

2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 102635901) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID102635901
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCN(c1ncnc2ccsc12)C1CCCCC1O
InChIInChI=1S/C13H17N3OS/c1-16(10-4-2-3-5-11(10)17)13-12-9(6-7-18-12)14-8-15-13/h6-8,10-11,17H,2-5H2,1H3
InChIKeyCRTNAMWBOUMICB-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-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-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 54999108
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640226
2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631435
N,N-dimethyl-2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 35790255
methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
CID 62956789
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 106641515
N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55142521
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
1-N-methyl-1-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63761550
N-piperidin-3-yl-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 63636486
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640153

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 102635901) is 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is CN(c1ncnc2ccsc12)C1CCCCC1O.
What is the InChIKey of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is CRTNAMWBOUMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-16(10-4-2-3-5-11(10)17)13-12-9(6-7-18-12)14-8-15-13/h6-8,10-11,17H,2-5H2,1H3.
What are the key properties of 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102635901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).