3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione

C12H18N2O2 — CID 15571333

IUPAC3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C2CCCCC2)c(=O)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-12(16)14(11(8)15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,16)
InChIKeyLWTKCZOMKNEKNT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds1

About 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione

3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 15571333) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID15571333
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C2CCCCC2)c(=O)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-12(16)14(11(8)15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,16)
InChIKeyLWTKCZOMKNEKNT-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione (CID 15571333) is 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(C2CCCCC2)c(=O)c1C.
What is the InChIKey of 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is LWTKCZOMKNEKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-9(2)13-12(16)14(11(8)15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione?
3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15571333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).