3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C13H16N2O3 — CID 139597054

IUPAC3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=C1CCC(n2c(=O)[nH]c3c(c2=O)CCC3)CC1
InChIInChI=1S/C13H16N2O3/c16-9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(10)14-13(15)18/h8H,1-7H2,(H,14,18)
InChIKeySFNXJFFISJVFGW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.71
Rot. Bonds1

About 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 139597054) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID139597054
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=C1CCC(n2c(=O)[nH]c3c(c2=O)CCC3)CC1
InChIInChI=1S/C13H16N2O3/c16-9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(10)14-13(15)18/h8H,1-7H2,(H,14,18)
InChIKeySFNXJFFISJVFGW-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lenacil
CID 16559
5-Oxolenacil
CID 53396340
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
Uracil, 5-butyl-3-ethyl-6-methyl-
CID 3021772
Uracil, 3,5-dibutyl-6-methyl-
CID 3021920
1',5',6',7'-tetrahydrospiro[cyclohexane-1,2'-cyclopenta[d]pyrimidin]-4'(3'H)-one
CID 683207
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 139597054) is 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is O=C1CCC(n2c(=O)[nH]c3c(c2=O)CCC3)CC1.
What is the InChIKey of 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is SFNXJFFISJVFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(10)14-13(15)18/h8H,1-7H2,(H,14,18).
What are the key properties of 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 139597054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).