5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione

C12H18N2O2 — CID 3025436

IUPAC5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)[nH]c(C)c(CCCC)c1=O
InChIInChI=1S/C12H18N2O2/c1-4-6-7-10-9(3)13-12(16)14(8-5-2)11(10)15/h5H,2,4,6-8H2,1,3H3,(H,13,16)
InChIKeyGSKQWQMTLLITRI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds5

About 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione

5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione (PubChem CID 3025436) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
PubChem CID3025436
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)[nH]c(C)c(CCCC)c1=O
InChIInChI=1S/C12H18N2O2/c1-4-6-7-10-9(3)13-12(16)14(8-5-2)11(10)15/h5H,2,4,6-8H2,1,3H3,(H,13,16)
InChIKeyGSKQWQMTLLITRI-UHFFFAOYSA-N
XLogP1.37
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione (CID 3025436) is 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione is C=CCn1c(=O)[nH]c(C)c(CCCC)c1=O.
What is the InChIKey of 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is GSKQWQMTLLITRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-6-7-10-9(3)13-12(16)14(8-5-2)11(10)15/h5H,2,4,6-8H2,1,3H3,(H,13,16).
What are the key properties of 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3025436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).