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

C13H18N2O2 — CID 138396225

IUPAC3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILES[2H]n1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2
InChIInChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)/i/hD
InChIKeyZTMKADLOSYKWCA-DYCDLGHISA-N
MW235.31 g/mol
LogP1.53
Rot. Bonds1

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

3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione (PubChem CID 138396225) has the molecular formula C13H18N2O2 and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
PubChem CID138396225
Molecular FormulaC13H18N2O2
Molecular Weight235.31 g/mol
Exact Mass235.14
IUPAC Name3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILES[2H]n1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2
InChIInChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)/i/hD
InChIKeyZTMKADLOSYKWCA-DYCDLGHISA-N
XLogP1.53
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione (CID 138396225) is 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione is [2H]n1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2.
What is the InChIKey of 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is ZTMKADLOSYKWCA-DYCDLGHISA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)/i/hD.
What are the key properties of 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 235.31 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-deuterio-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 138396225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).