4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine

C13H20N4 — CID 78989317

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3CCCCC32)nc(N)n1
InChIInChI=1S/C13H20N4/c1-9-8-12(16-13(14)15-9)17-7-6-10-4-2-3-5-11(10)17/h8,10-11H,2-7H2,1H3,(H2,14,15,16)
InChIKeyWGBBPGLXMNQVBK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.14
Rot. Bonds1

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 78989317) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine
PubChem CID78989317
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3CCCCC32)nc(N)n1
InChIInChI=1S/C13H20N4/c1-9-8-12(16-13(14)15-9)17-7-6-10-4-2-3-5-11(10)17/h8,10-11H,2-7H2,1H3,(H2,14,15,16)
InChIKeyWGBBPGLXMNQVBK-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine (CID 78989317) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCC3CCCCC32)nc(N)n1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is WGBBPGLXMNQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-8-12(16-13(14)15-9)17-7-6-10-4-2-3-5-11(10)17/h8,10-11H,2-7H2,1H3,(H2,14,15,16).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 78989317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).