[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone

C20H28N4O2 — CID 46954677

IUPAC[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESC=CCC1(CC=C)CCN1C(=O)c1cnc(N2CCOCC2)nc1CC
InChIInChI=1S/C20H28N4O2/c1-4-7-20(8-5-2)9-10-24(20)18(25)16-15-21-19(22-17(16)6-3)23-11-13-26-14-12-23/h4-5,15H,1-2,6-14H2,3H3
InChIKeyHJJZXURXTOEIGJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.61
Rot. Bonds7

About [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone

[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 46954677) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID46954677
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESC=CCC1(CC=C)CCN1C(=O)c1cnc(N2CCOCC2)nc1CC
InChIInChI=1S/C20H28N4O2/c1-4-7-20(8-5-2)9-10-24(20)18(25)16-15-21-19(22-17(16)6-3)23-11-13-26-14-12-23/h4-5,15H,1-2,6-14H2,3H3
InChIKeyHJJZXURXTOEIGJ-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 46954677) is [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone is C=CCC1(CC=C)CCN1C(=O)c1cnc(N2CCOCC2)nc1CC.
What is the InChIKey of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is HJJZXURXTOEIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-7-20(8-5-2)9-10-24(20)18(25)16-15-21-19(22-17(16)6-3)23-11-13-26-14-12-23/h4-5,15H,1-2,6-14H2,3H3.
What are the key properties of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone?
[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 46954677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).