5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione

C10H14N2O2 — CID 11344568

IUPAC5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
SMILESCCC/C=C/n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-3-4-5-6-12-7-8(2)9(13)11-10(12)14/h5-7H,3-4H2,1-2H3,(H,11,13,14)/b6-5+
InChIKeyNZDVGVFLFRHGBO-AATRIKPKSA-N
MW194.23 g/mol
LogP1.12
Rot. Bonds3

About 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione

5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione (PubChem CID 11344568) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
PubChem CID11344568
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
SMILESCCC/C=C/n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-3-4-5-6-12-7-8(2)9(13)11-10(12)14/h5-7H,3-4H2,1-2H3,(H,11,13,14)/b6-5+
InChIKeyNZDVGVFLFRHGBO-AATRIKPKSA-N
XLogP1.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione (CID 11344568) is 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione is CCC/C=C/n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
The InChIKey is NZDVGVFLFRHGBO-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-4-5-6-12-7-8(2)9(13)11-10(12)14/h5-7H,3-4H2,1-2H3,(H,11,13,14)/b6-5+.
What are the key properties of 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione?
5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11344568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).