2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H15N3O — CID 55061398

IUPAC2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c3c(n2)CCC3)o1
InChIInChI=1S/C13H15N3O/c1-2-8-6-7-11(17-8)13-15-10-5-3-4-9(10)12(14)16-13/h6-7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyPMDXYBWXSXFMTH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.37
Rot. Bonds2

About 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 55061398) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID55061398
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCc1ccc(-c2nc(N)c3c(n2)CCC3)o1
InChIInChI=1S/C13H15N3O/c1-2-8-6-7-11(17-8)13-15-10-5-3-4-9(10)12(14)16-13/h6-7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyPMDXYBWXSXFMTH-UHFFFAOYSA-N
XLogP2.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 55061398) is 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCc1ccc(-c2nc(N)c3c(n2)CCC3)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is PMDXYBWXSXFMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-8-6-7-11(17-8)13-15-10-5-3-4-9(10)12(14)16-13/h6-7H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 55061398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).