cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol

C13H17N3OS — CID 124506194

IUPACcis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CNc1ncnc2sccc12
InChIInChI=1S/C13H17N3OS/c17-11-4-2-1-3-9(11)7-14-12-10-5-6-18-13(10)16-8-15-12/h5-6,8-9,11,17H,1-4,7H2,(H,14,15,16)/t9-,11+/m0/s1
InChIKeyWOLYAIAYBQSFEP-GXSJLCMTSA-N
MW263.37 g/mol
LogP2.65
Rot. Bonds3

About cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol

cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 124506194) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID124506194
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Namecis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CNc1ncnc2sccc12
InChIInChI=1S/C13H17N3OS/c17-11-4-2-1-3-9(11)7-14-12-10-5-6-18-13(10)16-8-15-12/h5-6,8-9,11,17H,1-4,7H2,(H,14,15,16)/t9-,11+/m0/s1
InChIKeyWOLYAIAYBQSFEP-GXSJLCMTSA-N
XLogP2.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 65029513
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107413822
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
2-(hydroxymethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 114008836
[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665
2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80841458
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 78986261
N-(2,6-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 83026527

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol (CID 124506194) is cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1CNc1ncnc2sccc12.
What is the InChIKey of cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is WOLYAIAYBQSFEP-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-11-4-2-1-3-9(11)7-14-12-10-5-6-18-13(10)16-8-15-12/h5-6,8-9,11,17H,1-4,7H2,(H,14,15,16)/t9-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol?
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 124506194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).