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

C17H20N4 — CID 165396541

IUPAC[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1
InChIInChI=1S/C17H20N4/c18-11-12-5-7-13(8-6-12)16-14-3-1-4-15(14)19-17(20-16)21-9-2-10-21/h5-8H,1-4,9-11,18H2
InChIKeyYTZQMCNJWCCSEG-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.30
Rot. Bonds3

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

[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine (PubChem CID 165396541) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
PubChem CID165396541
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1
InChIInChI=1S/C17H20N4/c18-11-12-5-7-13(8-6-12)16-14-3-1-4-15(14)19-17(20-16)21-9-2-10-21/h5-8H,1-4,9-11,18H2
InChIKeyYTZQMCNJWCCSEG-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

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Related Compounds

[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396314
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396594
2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396343
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
CID 165396067
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline
CID 17035768
[2-(azepan-1-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]methanamine
CID 28908587
acetonitrile;[4-[2-(azetidin-1-yl)-7,7-difluoro-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]phenyl]methanamine;fluoroform
CID 165396674
3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine
CID 167207585
[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol
CID 165397416
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

Frequently Asked Questions

What is the IUPAC name of [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The IUPAC name of [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine (CID 165396541) is [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine is NCc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1.
What is the InChIKey of [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
The InChIKey is YTZQMCNJWCCSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-11-12-5-7-13(8-6-12)16-14-3-1-4-15(14)19-17(20-16)21-9-2-10-21/h5-8H,1-4,9-11,18H2.
What are the key properties of [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine?
[4-[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 [4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine is sourced from PubChem (CID 165396541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).