5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione

C17H21N3O2 — CID 53471449

IUPAC5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(N2C3=C(C=C4CCCCC42)CCCC3)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c21-16-15(10-18-17(22)19-16)20-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)20/h9-10,13H,1-8H2,(H2,18,19,21,22)
InChIKeyDLVSBEHFGBLGIK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds1

About 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione

5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione (PubChem CID 53471449) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione
PubChem CID53471449
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(N2C3=C(C=C4CCCCC42)CCCC3)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c21-16-15(10-18-17(22)19-16)20-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)20/h9-10,13H,1-8H2,(H2,18,19,21,22)
InChIKeyDLVSBEHFGBLGIK-UHFFFAOYSA-N
XLogP2.58
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione (CID 53471449) is 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(N2C3=C(C=C4CCCCC42)CCCC3)c(=O)[nH]1.
What is the InChIKey of 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is DLVSBEHFGBLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-15(10-18-17(22)19-16)20-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)20/h9-10,13H,1-8H2,(H2,18,19,21,22).
What are the key properties of 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione?
5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 299.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,4a,5,6,7,8-octahydro-1H-acridin-10-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53471449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).