6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine

C13H20N4 — CID 115563079

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CC3CCCC3C2)n1
InChIInChI=1S/C13H20N4/c1-2-12-15-11(14)6-13(16-12)17-7-9-4-3-5-10(9)8-17/h6,9-10H,2-5,7-8H2,1H3,(H2,14,15,16)
InChIKeyODCXLIDEOUYGSN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.86
Rot. Bonds2

About 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine (PubChem CID 115563079) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
PubChem CID115563079
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CC3CCCC3C2)n1
InChIInChI=1S/C13H20N4/c1-2-12-15-11(14)6-13(16-12)17-7-9-4-3-5-10(9)8-17/h6,9-10H,2-5,7-8H2,1H3,(H2,14,15,16)
InChIKeyODCXLIDEOUYGSN-UHFFFAOYSA-N
XLogP1.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine (CID 115563079) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(N2CC3CCCC3C2)n1.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine?
The InChIKey is ODCXLIDEOUYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-12-15-11(14)6-13(16-12)17-7-9-4-3-5-10(9)8-17/h6,9-10H,2-5,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine has a molecular weight of 232.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 115563079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).