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

C12H14ClN3OS — CID 112750276

IUPAC4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)nc3ccsc23)CC1
InChIInChI=1S/C12H14ClN3OS/c13-12-15-9-5-6-18-10(9)11(16-12)14-7-1-3-8(17)4-2-7/h5-8,17H,1-4H2,(H,14,15,16)
InChIKeyDAXZFZZFPGILQL-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.06
Rot. Bonds2

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

4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 112750276) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID112750276
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)nc3ccsc23)CC1
InChIInChI=1S/C12H14ClN3OS/c13-12-15-9-5-6-18-10(9)11(16-12)14-7-1-3-8(17)4-2-7/h5-8,17H,1-4H2,(H,14,15,16)
InChIKeyDAXZFZZFPGILQL-UHFFFAOYSA-N
XLogP3.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 112750276) is 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)nc3ccsc23)CC1.
What is the InChIKey of 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is DAXZFZZFPGILQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c13-12-15-9-5-6-18-10(9)11(16-12)14-7-1-3-8(17)4-2-7/h5-8,17H,1-4H2,(H,14,15,16).
What are the key properties of 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 283.78 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 112750276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).