[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine

C21H27N5 — CID 68737526

IUPAC[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
SMILESCC1CCc2ncnc(N3CCC4(CC3)CNc3ccc(CN)cc34)c21
InChIInChI=1S/C21H27N5/c1-14-2-4-18-19(14)20(25-13-24-18)26-8-6-21(7-9-26)12-23-17-5-3-15(11-22)10-16(17)21/h3,5,10,13-14,23H,2,4,6-9,11-12,22H2,1H3
InChIKeyYDMUMYZDNNETTP-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.95
Rot. Bonds2

About [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine

[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine (PubChem CID 68737526) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine.

Molecular Properties

Compound Name[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
PubChem CID68737526
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine
SMILESCC1CCc2ncnc(N3CCC4(CC3)CNc3ccc(CN)cc34)c21
InChIInChI=1S/C21H27N5/c1-14-2-4-18-19(14)20(25-13-24-18)26-8-6-21(7-9-26)12-23-17-5-3-15(11-22)10-16(17)21/h3,5,10,13-14,23H,2,4,6-9,11-12,22H2,1H3
InChIKeyYDMUMYZDNNETTP-UHFFFAOYSA-N
XLogP2.95
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
The IUPAC name of [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine (CID 68737526) is [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine.
What is the SMILES notation for [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
The canonical SMILES for [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine is CC1CCc2ncnc(N3CCC4(CC3)CNc3ccc(CN)cc34)c21.
What is the InChIKey of [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
The InChIKey is YDMUMYZDNNETTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-14-2-4-18-19(14)20(25-13-24-18)26-8-6-21(7-9-26)12-23-17-5-3-15(11-22)10-16(17)21/h3,5,10,13-14,23H,2,4,6-9,11-12,22H2,1H3.
What are the key properties of [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine?
[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine has a molecular weight of 349.48 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]methanamine is sourced from PubChem (CID 68737526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).