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

C20H24N4O2 — CID 165397095

IUPACN-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCc1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C20H24N4O2/c1-13(25)19(26)21-12-14-5-2-6-15(11-14)18-16-7-3-8-17(16)22-20(23-18)24-9-4-10-24/h2,5-6,11,13,25H,3-4,7-10,12H2,1H3,(H,21,26)
InChIKeyDUOHOQOTSNXSDR-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.84
Rot. Bonds5

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

N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide (PubChem CID 165397095) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide
PubChem CID165397095
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCc1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C20H24N4O2/c1-13(25)19(26)21-12-14-5-2-6-15(11-14)18-16-7-3-8-17(16)22-20(23-18)24-9-4-10-24/h2,5-6,11,13,25H,3-4,7-10,12H2,1H3,(H,21,26)
InChIKeyDUOHOQOTSNXSDR-UHFFFAOYSA-N
XLogP1.84
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide?
The IUPAC name of N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide (CID 165397095) is N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide is CC(O)C(=O)NCc1cccc(-c2nc(N3CCC3)nc3c2CCC3)c1.
What is the InChIKey of N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide?
The InChIKey is DUOHOQOTSNXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(25)19(26)21-12-14-5-2-6-15(11-14)18-16-7-3-8-17(16)22-20(23-18)24-9-4-10-24/h2,5-6,11,13,25H,3-4,7-10,12H2,1H3,(H,21,26).
What are the key properties of N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide?
N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide has a molecular weight of 352.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 165397095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).