6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C13H20N2O2 — CID 102163885

IUPAC6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=C\C(C)(C)C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H20N2O2/c1-9(8-13(2,3)4)10-7-11(16)15(6)12(17)14(10)5/h7-8H,1-6H3/b9-8+
InChIKeyODBQQQOPECLRMY-CMDGGOBGSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds1

About 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 102163885) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID102163885
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=C\C(C)(C)C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H20N2O2/c1-9(8-13(2,3)4)10-7-11(16)15(6)12(17)14(10)5/h7-8H,1-6H3/b9-8+
InChIKeyODBQQQOPECLRMY-CMDGGOBGSA-N
XLogP1.53
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 102163885) is 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione is C/C(=C\C(C)(C)C)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ODBQQQOPECLRMY-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(8-13(2,3)4)10-7-11(16)15(6)12(17)14(10)5/h7-8H,1-6H3/b9-8+.
What are the key properties of 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 236.31 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 102163885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).