3-cyclohexyl-1-methylpyrimidine-2,4-dione

C11H16N2O2 — CID 13290706

IUPAC3-cyclohexyl-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-8-7-10(14)13(11(12)15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyUWLPZFNMROQLHT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.05
Rot. Bonds1

About 3-cyclohexyl-1-methylpyrimidine-2,4-dione

3-cyclohexyl-1-methylpyrimidine-2,4-dione (PubChem CID 13290706) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-cyclohexyl-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-methylpyrimidine-2,4-dione
PubChem CID13290706
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-cyclohexyl-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C11H16N2O2/c1-12-8-7-10(14)13(11(12)15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyUWLPZFNMROQLHT-UHFFFAOYSA-N
XLogP1.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 165473593
3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione
CID 3041134
1-cyclohexyl-3-methyl-2-sulfanylidenepyrimidin-4-one
CID 174629910
3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione
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9-cyclononylcarbazole
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2-amino-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 70304240
N-(1,3-dicyclohexyl-2,6-dioxopyrimidin-4-yl)methanesulfonamide
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1-cyclopentyl-4-methylpyrazine-2,3-dione
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3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-1-methylpyrimidine-2,4-dione (CID 13290706) is 3-cyclohexyl-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-1-methylpyrimidine-2,4-dione?
The InChIKey is UWLPZFNMROQLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-8-7-10(14)13(11(12)15)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-1-methylpyrimidine-2,4-dione?
3-cyclohexyl-1-methylpyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 13290706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).