6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione

C15H22N2O3 — CID 140917709

IUPAC6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(C(=O)C2CC(C)CC(C)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O3/c1-4-11-12(16-15(20)17-14(11)19)13(18)10-6-8(2)5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,19,20)
InChIKeySOZWXPBLCJIEQD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.88
Rot. Bonds3

About 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione

6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 140917709) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione
PubChem CID140917709
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(C(=O)C2CC(C)CC(C)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H22N2O3/c1-4-11-12(16-15(20)17-14(11)19)13(18)10-6-8(2)5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,19,20)
InChIKeySOZWXPBLCJIEQD-UHFFFAOYSA-N
XLogP1.88
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione (CID 140917709) is 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione is CCc1c(C(=O)C2CC(C)CC(C)C2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is SOZWXPBLCJIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-11-12(16-15(20)17-14(11)19)13(18)10-6-8(2)5-9(3)7-10/h8-10H,4-7H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione?
6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 278.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylcyclohexanecarbonyl)-5-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 140917709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).