3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

C15H21N3OS — CID 123300385

IUPAC3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCCc1c(C)sc2ncnc(NC3CCCC(O)C3)c12
InChIInChI=1S/C15H21N3OS/c1-3-12-9(2)20-15-13(12)14(16-8-17-15)18-10-5-4-6-11(19)7-10/h8,10-11,19H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyUQUVEBBIMGFJFQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.28
Rot. Bonds3

About 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 123300385) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID123300385
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCCc1c(C)sc2ncnc(NC3CCCC(O)C3)c12
InChIInChI=1S/C15H21N3OS/c1-3-12-9(2)20-15-13(12)14(16-8-17-15)18-10-5-4-6-11(19)7-10/h8,10-11,19H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyUQUVEBBIMGFJFQ-UHFFFAOYSA-N
XLogP3.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 123300385) is 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is CCc1c(C)sc2ncnc(NC3CCCC(O)C3)c12.
What is the InChIKey of 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is UQUVEBBIMGFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-12-9(2)20-15-13(12)14(16-8-17-15)18-10-5-4-6-11(19)7-10/h8,10-11,19H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 291.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 123300385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).