2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine

C17H17N3S — CID 63080790

IUPAC2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C2(c3ccccc3)CCCC2)nc2sccc12
InChIInChI=1S/C17H17N3S/c18-14-13-8-11-21-15(13)20-16(19-14)17(9-4-5-10-17)12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,9-10H2,(H2,18,19,20)
InChIKeyXJEQYIBTXMQSPI-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.13
Rot. Bonds2

About 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine

2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63080790) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63080790
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C2(c3ccccc3)CCCC2)nc2sccc12
InChIInChI=1S/C17H17N3S/c18-14-13-8-11-21-15(13)20-16(19-14)17(9-4-5-10-17)12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,9-10H2,(H2,18,19,20)
InChIKeyXJEQYIBTXMQSPI-UHFFFAOYSA-N
XLogP4.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine (CID 63080790) is 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(C2(c3ccccc3)CCCC2)nc2sccc12.
What is the InChIKey of 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XJEQYIBTXMQSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c18-14-13-8-11-21-15(13)20-16(19-14)17(9-4-5-10-17)12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,9-10H2,(H2,18,19,20).
What are the key properties of 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63080790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).