1,3,6-triethyl-5-methylpyrimidine-2,4-dione

C11H18N2O2 — CID 13029753

IUPAC1,3,6-triethyl-5-methylpyrimidine-2,4-dione
SMILESCCc1c(C)c(=O)n(CC)c(=O)n1CC
InChIInChI=1S/C11H18N2O2/c1-5-9-8(4)10(14)13(7-3)11(15)12(9)6-2/h5-7H2,1-4H3
InChIKeyGKTNPUNCRHDNEF-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.92
Rot. Bonds3

About 1,3,6-triethyl-5-methylpyrimidine-2,4-dione

1,3,6-triethyl-5-methylpyrimidine-2,4-dione (PubChem CID 13029753) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,3,6-triethyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-triethyl-5-methylpyrimidine-2,4-dione
PubChem CID13029753
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1,3,6-triethyl-5-methylpyrimidine-2,4-dione
SMILESCCc1c(C)c(=O)n(CC)c(=O)n1CC
InChIInChI=1S/C11H18N2O2/c1-5-9-8(4)10(14)13(7-3)11(15)12(9)6-2/h5-7H2,1-4H3
InChIKeyGKTNPUNCRHDNEF-UHFFFAOYSA-N
XLogP0.92
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-triethyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1,3,6-triethyl-5-methylpyrimidine-2,4-dione (CID 13029753) is 1,3,6-triethyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-triethyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-triethyl-5-methylpyrimidine-2,4-dione is CCc1c(C)c(=O)n(CC)c(=O)n1CC.
What is the InChIKey of 1,3,6-triethyl-5-methylpyrimidine-2,4-dione?
The InChIKey is GKTNPUNCRHDNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-9-8(4)10(14)13(7-3)11(15)12(9)6-2/h5-7H2,1-4H3.
What are the key properties of 1,3,6-triethyl-5-methylpyrimidine-2,4-dione?
1,3,6-triethyl-5-methylpyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-triethyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 13029753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).