7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C13H11ClN2O2 — CID 58075545

IUPAC7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCC2c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-8-3-1-7(2-4-8)9-5-6-10-11(9)15-13(18)16-12(10)17/h1-4,9H,5-6H2,(H2,15,16,17,18)
InChIKeyXKNVGXXSAXSXMH-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.79
Rot. Bonds1

About 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 58075545) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID58075545
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCC2c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-8-3-1-7(2-4-8)9-5-6-10-11(9)15-13(18)16-12(10)17/h1-4,9H,5-6H2,(H2,15,16,17,18)
InChIKeyXKNVGXXSAXSXMH-UHFFFAOYSA-N
XLogP1.79
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 58075545) is 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)CCC2c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is XKNVGXXSAXSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-8-3-1-7(2-4-8)9-5-6-10-11(9)15-13(18)16-12(10)17/h1-4,9H,5-6H2,(H2,15,16,17,18).
What are the key properties of 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 262.70 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 58075545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).