5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione

C12H18N2O2 — CID 14386102

IUPAC5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-8-10(9-6-4-3-5-7-9)11(15)14(2)12(13)16/h8-9H,3-7H2,1-2H3
InChIKeyYBLRUPZHXJWJLG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.13
Rot. Bonds1

About 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione

5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 14386102) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID14386102
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-8-10(9-6-4-3-5-7-9)11(15)14(2)12(13)16/h8-9H,3-7H2,1-2H3
InChIKeyYBLRUPZHXJWJLG-UHFFFAOYSA-N
XLogP1.13
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione (CID 14386102) is 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is YBLRUPZHXJWJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-8-10(9-6-4-3-5-7-9)11(15)14(2)12(13)16/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione?
5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 14386102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).