3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione

C13H16N2O3 — CID 53396340

IUPAC3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione
SMILESO=C1CCc2[nH]c(=O)n(C3CCCCC3)c(=O)c21
InChIInChI=1S/C13H16N2O3/c16-10-7-6-9-11(10)12(17)15(13(18)14-9)8-4-2-1-3-5-8/h8H,1-7H2,(H,14,18)
InChIKeyNNPFLBDSCLFQNM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.17
Rot. Bonds1

About 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione

3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione (PubChem CID 53396340) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione
PubChem CID53396340
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione
SMILESO=C1CCc2[nH]c(=O)n(C3CCCCC3)c(=O)c21
InChIInChI=1S/C13H16N2O3/c16-10-7-6-9-11(10)12(17)15(13(18)14-9)8-4-2-1-3-5-8/h8H,1-7H2,(H,14,18)
InChIKeyNNPFLBDSCLFQNM-UHFFFAOYSA-N
XLogP1.17
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lenacil
CID 16559
A 3-(4-Oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 139597054
3-hexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 1915099
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-3-cyclohexyl-1-methyl-
CID 206370
3-pentyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 2055081
1H-Cyclopentapyrimidine-1-acetamide, 2,3,4,5,6,7-hexahydro-3-cyclohexyl-2,4-dioxo-
CID 206373
3-butyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 1781189
3-Butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 3303025
3-Cyclohexyl(1-~2~H)-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 138396225
3-(2-Oxocyclohexyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 177841110
2-(3-cyclohexyl-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)-N-cyclopentylacetamide
CID 41783847
3-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 906060

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione?
The IUPAC name of 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione (CID 53396340) is 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione?
The canonical SMILES for 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione is O=C1CCc2[nH]c(=O)n(C3CCCCC3)c(=O)c21.
What is the InChIKey of 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione?
The InChIKey is NNPFLBDSCLFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-10-7-6-9-11(10)12(17)15(13(18)14-9)8-4-2-1-3-5-8/h8H,1-7H2,(H,14,18).
What are the key properties of 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione?
3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione has a molecular weight of 248.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 53396340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).