N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine

C13H20N4 — CID 138006724

IUPACN-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
SMILESCc1cnc(CNC23CCCC2NCC3)nc1
InChIInChI=1S/C13H20N4/c1-10-7-15-12(16-8-10)9-17-13-4-2-3-11(13)14-6-5-13/h7-8,11,14,17H,2-6,9H2,1H3
InChIKeyAVRZWEXIGIJBMA-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.16
Rot. Bonds3

About N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine

N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine (PubChem CID 138006724) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
PubChem CID138006724
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine
SMILESCc1cnc(CNC23CCCC2NCC3)nc1
InChIInChI=1S/C13H20N4/c1-10-7-15-12(16-8-10)9-17-13-4-2-3-11(13)14-6-5-13/h7-8,11,14,17H,2-6,9H2,1H3
InChIKeyAVRZWEXIGIJBMA-UHFFFAOYSA-N
XLogP1.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 164637376
CID 164637376
CID 118308180
CID 118308180
CID 174315898
CID 174315898
CID 114216515
CID 114216515
CID 114224917
CID 114224917
CID 125479334
CID 125479334
CID 125479335
CID 125479335
CID 125479336
CID 125479336
CID 125479337
CID 125479337
CID 50962767
CID 50962767

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine (CID 138006724) is N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine is Cc1cnc(CNC23CCCC2NCC3)nc1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
The InChIKey is AVRZWEXIGIJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-7-15-12(16-8-10)9-17-13-4-2-3-11(13)14-6-5-13/h7-8,11,14,17H,2-6,9H2,1H3.
What are the key properties of N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine?
N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine has a molecular weight of 232.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrimidin-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-amine is sourced from PubChem (CID 138006724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).