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

C13H20N4 — CID 83189400

IUPAC[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CC3CCCC3C2)ncc1CN
InChIInChI=1S/C13H20N4/c1-9-12(5-14)6-15-13(16-9)17-7-10-3-2-4-11(10)8-17/h6,10-11H,2-5,7-8,14H2,1H3
InChIKeyFODROPHLVMTRCE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.48
Rot. Bonds2

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

[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83189400) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83189400
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CC3CCCC3C2)ncc1CN
InChIInChI=1S/C13H20N4/c1-9-12(5-14)6-15-13(16-9)17-7-10-3-2-4-11(10)8-17/h6,10-11H,2-5,7-8,14H2,1H3
InChIKeyFODROPHLVMTRCE-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine (CID 83189400) is [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(N2CC3CCCC3C2)ncc1CN.
What is the InChIKey of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is FODROPHLVMTRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-12(5-14)6-15-13(16-9)17-7-10-3-2-4-11(10)8-17/h6,10-11H,2-5,7-8,14H2,1H3.
What are the key properties of [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine?
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).