[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine

C14H22N4 — CID 83188721

IUPAC[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCC3CCCCC32)ncc1CN
InChIInChI=1S/C14H22N4/c1-10-12(8-15)9-16-14(17-10)18-7-6-11-4-2-3-5-13(11)18/h9,11,13H,2-8,15H2,1H3
InChIKeyWMOKVFOCXHQFMF-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.01
Rot. Bonds2

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

[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83188721) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83188721
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCC3CCCCC32)ncc1CN
InChIInChI=1S/C14H22N4/c1-10-12(8-15)9-16-14(17-10)18-7-6-11-4-2-3-5-13(11)18/h9,11,13H,2-8,15H2,1H3
InChIKeyWMOKVFOCXHQFMF-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine (CID 83188721) is [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(N2CCC3CCCCC32)ncc1CN.
What is the InChIKey of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is WMOKVFOCXHQFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-12(8-15)9-16-14(17-10)18-7-6-11-4-2-3-5-13(11)18/h9,11,13H,2-8,15H2,1H3.
What are the key properties of [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine?
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 246.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83188721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).