1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C19H21N3OS — CID 71849594

IUPAC1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CN(Cc2ccccc2)c2ncnc3sccc23)CCCC1
InChIInChI=1S/C19H21N3OS/c23-19(9-4-5-10-19)13-22(12-15-6-2-1-3-7-15)17-16-8-11-24-18(16)21-14-20-17/h1-3,6-8,11,14,23H,4-5,9-10,12-13H2
InChIKeyZXXPCRDJUSRXEW-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.00
Rot. Bonds5

About 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 71849594) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID71849594
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CN(Cc2ccccc2)c2ncnc3sccc23)CCCC1
InChIInChI=1S/C19H21N3OS/c23-19(9-4-5-10-19)13-22(12-15-6-2-1-3-7-15)17-16-8-11-24-18(16)21-14-20-17/h1-3,6-8,11,14,23H,4-5,9-10,12-13H2
InChIKeyZXXPCRDJUSRXEW-UHFFFAOYSA-N
XLogP4.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 71849594) is 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is OC1(CN(Cc2ccccc2)c2ncnc3sccc23)CCCC1.
What is the InChIKey of 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZXXPCRDJUSRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-19(9-4-5-10-19)13-22(12-15-6-2-1-3-7-15)17-16-8-11-24-18(16)21-14-20-17/h1-3,6-8,11,14,23H,4-5,9-10,12-13H2.
What are the key properties of 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 339.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 71849594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).