3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one

C19H26N4O2 — CID 146080150

IUPAC3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CC(N2CC3CCCC3C2)C1
InChIInChI=1S/C19H26N4O2/c24-18-6-17(13-4-5-13)20-12-23(18)11-19(25)22-9-16(10-22)21-7-14-2-1-3-15(14)8-21/h6,12-16H,1-5,7-11H2
InChIKeyXQBVTODQEAIIRX-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.06
Rot. Bonds4

About 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one

3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one (PubChem CID 146080150) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
PubChem CID146080150
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CC(N2CC3CCCC3C2)C1
InChIInChI=1S/C19H26N4O2/c24-18-6-17(13-4-5-13)20-12-23(18)11-19(25)22-9-16(10-22)21-7-14-2-1-3-15(14)8-21/h6,12-16H,1-5,7-11H2
InChIKeyXQBVTODQEAIIRX-UHFFFAOYSA-N
XLogP1.06
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The IUPAC name of 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one (CID 146080150) is 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The canonical SMILES for 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1CC(N2CC3CCCC3C2)C1.
What is the InChIKey of 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The InChIKey is XQBVTODQEAIIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-6-17(13-4-5-13)20-12-23(18)11-19(25)22-9-16(10-22)21-7-14-2-1-3-15(14)8-21/h6,12-16H,1-5,7-11H2.
What are the key properties of 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one has a molecular weight of 342.44 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 146080150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).