[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine

C17H20N4 — CID 165396314

IUPAC[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C17H20N4/c18-11-12-4-1-5-13(10-12)16-14-6-2-7-15(14)19-17(20-16)21-8-3-9-21/h1,4-5,10H,2-3,6-9,11,18H2
InChIKeyMEABEYJMMOSMDZ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.30
Rot. Bonds3

About [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine

[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine (PubChem CID 165396314) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
PubChem CID165396314
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C17H20N4/c18-11-12-4-1-5-13(10-12)16-14-6-2-7-15(14)19-17(20-16)21-8-3-9-21/h1,4-5,10H,2-3,6-9,11,18H2
InChIKeyMEABEYJMMOSMDZ-UHFFFAOYSA-N
XLogP2.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396541
2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396343
N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide
CID 165397095
[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol
CID 165397416
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide
CID 165396939
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
CID 165396067
[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396594
3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine
CID 167207585
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine
CID 165396731
2-[5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 167207278
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 165396177

Frequently Asked Questions

What is the IUPAC name of [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The IUPAC name of [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine (CID 165396314) is [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The canonical SMILES for [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine is NCc1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1.
What is the InChIKey of [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The InChIKey is MEABEYJMMOSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-11-12-4-1-5-13(10-12)16-14-6-2-7-15(14)19-17(20-16)21-8-3-9-21/h1,4-5,10H,2-3,6-9,11,18H2.
What are the key properties of [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine has a molecular weight of 280.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine is sourced from PubChem (CID 165396314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).