6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione

C11H16N2O2 — CID 22075427

IUPAC6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-13-10(14)7-9(12-11(13)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyMUDSKENBPWMXFA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.12
Rot. Bonds1

About 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione

6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 22075427) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID22075427
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-13-10(14)7-9(12-11(13)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyMUDSKENBPWMXFA-UHFFFAOYSA-N
XLogP1.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione (CID 22075427) is 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is MUDSKENBPWMXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-10(14)7-9(12-11(13)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,15).
What are the key properties of 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione?
6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22075427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).