1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione

C14H22N2O2 — CID 102163882

IUPAC1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione
SMILESCCC/C=C(\CCC)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H22N2O2/c1-5-7-9-11(8-6-2)12-10-13(17)16(4)14(18)15(12)3/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyRQMJFXNKAUIYSZ-PKNBQFBNSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds5

About 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione (PubChem CID 102163882) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione
PubChem CID102163882
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione
SMILESCCC/C=C(\CCC)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H22N2O2/c1-5-7-9-11(8-6-2)12-10-13(17)16(4)14(18)15(12)3/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyRQMJFXNKAUIYSZ-PKNBQFBNSA-N
XLogP2.07
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione (CID 102163882) is 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione is CCC/C=C(\CCC)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione?
The InChIKey is RQMJFXNKAUIYSZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-7-9-11(8-6-2)12-10-13(17)16(4)14(18)15(12)3/h9-10H,5-8H2,1-4H3/b11-9+.
What are the key properties of 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione has a molecular weight of 250.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 102163882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).