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

C14H19N3OS — CID 133282185

IUPAC2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCCc1cc2c(NC3CCCCC3O)ncnc2s1
InChIInChI=1S/C14H19N3OS/c1-2-9-7-10-13(15-8-16-14(10)19-9)17-11-5-3-4-6-12(11)18/h7-8,11-12,18H,2-6H2,1H3,(H,15,16,17)
InChIKeyMRZJCTBHLJXNQA-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.97
Rot. Bonds3

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

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 133282185) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID133282185
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCCc1cc2c(NC3CCCCC3O)ncnc2s1
InChIInChI=1S/C14H19N3OS/c1-2-9-7-10-13(15-8-16-14(10)19-9)17-11-5-3-4-6-12(11)18/h7-8,11-12,18H,2-6H2,1H3,(H,15,16,17)
InChIKeyMRZJCTBHLJXNQA-UHFFFAOYSA-N
XLogP2.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 133282185) is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is CCc1cc2c(NC3CCCCC3O)ncnc2s1.
What is the InChIKey of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is MRZJCTBHLJXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-9-7-10-13(15-8-16-14(10)19-9)17-11-5-3-4-6-12(11)18/h7-8,11-12,18H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 133282185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).