[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

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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).