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

C12H18N2O2 — CID 102163884

IUPAC1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione
SMILESC/C(=C\C(C)C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N2O2/c1-8(2)6-9(3)10-7-11(15)14(5)12(16)13(10)4/h6-8H,1-5H3/b9-6+
InChIKeyJDXNQMGPPIVHKQ-RMKNXTFCSA-N
MW222.29 g/mol
LogP1.14
Rot. Bonds2

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

1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione (PubChem CID 102163884) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione
PubChem CID102163884
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione
SMILESC/C(=C\C(C)C)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N2O2/c1-8(2)6-9(3)10-7-11(15)14(5)12(16)13(10)4/h6-8H,1-5H3/b9-6+
InChIKeyJDXNQMGPPIVHKQ-RMKNXTFCSA-N
XLogP1.14
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.14
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)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione (CID 102163884) is 1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione is C/C(=C\C(C)C)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione?
The InChIKey is JDXNQMGPPIVHKQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)6-9(3)10-7-11(15)14(5)12(16)13(10)4/h6-8H,1-5H3/b9-6+.
What are the key properties of 1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.14, 2 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)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 102163884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).