5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione

C15H22N2O3 — CID 43161196

IUPAC5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)CCC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H22N2O3/c1-16-10-12(14(19)17(2)15(16)20)13(18)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyGUDDLUCWCYSJPG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.63
Rot. Bonds4

About 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione

5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43161196) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43161196
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)CCC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H22N2O3/c1-16-10-12(14(19)17(2)15(16)20)13(18)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyGUDDLUCWCYSJPG-UHFFFAOYSA-N
XLogP1.63
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 43161196) is 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(=O)CCC2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GUDDLUCWCYSJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-10-12(14(19)17(2)15(16)20)13(18)9-8-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 278.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43161196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).