6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione

C12H18N2O2 — CID 154093385

IUPAC6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C2CCCCC2C)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-8-5-3-4-6-10(8)14-11(15)7-9(2)13-12(14)16/h7-8,10H,3-6H2,1-2H3,(H,13,16)
InChIKeyRIPOOMYEASDPEH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds1

About 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione

6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 154093385) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID154093385
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C2CCCCC2C)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-8-5-3-4-6-10(8)14-11(15)7-9(2)13-12(14)16/h7-8,10H,3-6H2,1-2H3,(H,13,16)
InChIKeyRIPOOMYEASDPEH-UHFFFAOYSA-N
XLogP1.60
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 154093385) is 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(C2CCCCC2C)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RIPOOMYEASDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-3-4-6-10(8)14-11(15)7-9(2)13-12(14)16/h7-8,10H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione?
6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154093385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).