1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione

C14H14N2O2 — CID 2306641

IUPAC1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2c1CCC2
InChIInChI=1S/C14H14N2O2/c17-13-11-7-4-8-12(11)16(14(18)15-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,17,18)
InChIKeyHPOJXSNSUDFSCC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.07
Rot. Bonds2

About 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione

1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione (PubChem CID 2306641) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
PubChem CID2306641
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c2c1CCC2
InChIInChI=1S/C14H14N2O2/c17-13-11-7-4-8-12(11)16(14(18)15-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,17,18)
InChIKeyHPOJXSNSUDFSCC-UHFFFAOYSA-N
XLogP1.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione (CID 2306641) is 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c2c1CCC2.
What is the InChIKey of 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is HPOJXSNSUDFSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-11-7-4-8-12(11)16(14(18)15-13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,17,18).
What are the key properties of 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 242.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 2306641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).