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

C9H12N2O2 — CID 3021699

IUPAC3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4H,1,5H2,2-3H3,(H,10,13)
InChIKeyIPJAPJKGXQNESJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.11
Rot. Bonds2

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

3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione (PubChem CID 3021699) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
PubChem CID3021699
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4H,1,5H2,2-3H3,(H,10,13)
InChIKeyIPJAPJKGXQNESJ-UHFFFAOYSA-N
XLogP0.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.11
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 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione (CID 3021699) is 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione is C=CCc1c(C)[nH]c(=O)n(C)c1=O.
What is the InChIKey of 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is IPJAPJKGXQNESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4H,1,5H2,2-3H3,(H,10,13).
What are the key properties of 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione?
3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).