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

C20H26N6OS — CID 135128157

IUPAC4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3cnn(C4CCCC4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H26N6OS/c27-16-7-5-13(6-8-16)22-19-18-17(9-10-28-18)24-20(25-19)23-14-11-21-26(12-14)15-3-1-2-4-15/h9-13,15-16,27H,1-8H2,(H2,22,23,24,25)
InChIKeyQBADRQJLMQSBKI-UHFFFAOYSA-N
MW398.54 g/mol
LogP4.46
Rot. Bonds5

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

4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 135128157) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID135128157
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3cnn(C4CCCC4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H26N6OS/c27-16-7-5-13(6-8-16)22-19-18-17(9-10-28-18)24-20(25-19)23-14-11-21-26(12-14)15-3-1-2-4-15/h9-13,15-16,27H,1-8H2,(H2,22,23,24,25)
InChIKeyQBADRQJLMQSBKI-UHFFFAOYSA-N
XLogP4.46
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 135128157) is 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Nc3cnn(C4CCCC4)c3)nc3ccsc23)CC1.
What is the InChIKey of 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QBADRQJLMQSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c27-16-7-5-13(6-8-16)22-19-18-17(9-10-28-18)24-20(25-19)23-14-11-21-26(12-14)15-3-1-2-4-15/h9-13,15-16,27H,1-8H2,(H2,22,23,24,25).
What are the key properties of 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 398.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135128157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).