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

C15H22N4OS — CID 103329709

IUPAC2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
SMILESCCNc1nc(NC2CCCCCC2O)c2ccsc2n1
InChIInChI=1S/C15H22N4OS/c1-2-16-15-18-13(10-8-9-21-14(10)19-15)17-11-6-4-3-5-7-12(11)20/h8-9,11-12,20H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyHJGOPCWGAQXYCX-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.23
Rot. Bonds4

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

2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol (PubChem CID 103329709) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
PubChem CID103329709
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
SMILESCCNc1nc(NC2CCCCCC2O)c2ccsc2n1
InChIInChI=1S/C15H22N4OS/c1-2-16-15-18-13(10-8-9-21-14(10)19-15)17-11-6-4-3-5-7-12(11)20/h8-9,11-12,20H,2-7H2,1H3,(H2,16,17,18,19)
InChIKeyHJGOPCWGAQXYCX-UHFFFAOYSA-N
XLogP3.23
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol (CID 103329709) is 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol is CCNc1nc(NC2CCCCCC2O)c2ccsc2n1.
What is the InChIKey of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol?
The InChIKey is HJGOPCWGAQXYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-16-15-18-13(10-8-9-21-14(10)19-15)17-11-6-4-3-5-7-12(11)20/h8-9,11-12,20H,2-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol?
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol has a molecular weight of 306.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol is sourced from PubChem (CID 103329709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).