5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione

C12H20N2O2 — CID 166959196

IUPAC5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCC(C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N2O2/c1-5-6-7-9(2)10-8-13(3)12(16)14(4)11(10)15/h8-9H,5-7H2,1-4H3
InChIKeyRBXBSTKGTDEGIE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.38
Rot. Bonds4

About 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione

5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 166959196) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID166959196
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCC(C)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N2O2/c1-5-6-7-9(2)10-8-13(3)12(16)14(4)11(10)15/h8-9H,5-7H2,1-4H3
InChIKeyRBXBSTKGTDEGIE-UHFFFAOYSA-N
XLogP1.38
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione (CID 166959196) is 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione is CCCCC(C)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RBXBSTKGTDEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-6-7-9(2)10-8-13(3)12(16)14(4)11(10)15/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione?
5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 166959196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).