5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione

C8H10N2O2 — CID 24972392

IUPAC5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione
SMILESC=C(C)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-5(2)3-6-4-9-8(12)10-7(6)11/h4H,1,3H2,2H3,(H2,9,10,11,12)
InChIKeySMHNTSOUFZRWOJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.18
Rot. Bonds2

About 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione

5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione (PubChem CID 24972392) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione
PubChem CID24972392
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione
SMILESC=C(C)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-5(2)3-6-4-9-8(12)10-7(6)11/h4H,1,3H2,2H3,(H2,9,10,11,12)
InChIKeySMHNTSOUFZRWOJ-UHFFFAOYSA-N
XLogP0.18
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
5-Isopropyluracil
CID 98575
2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
CID 592713
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
N-hexyl-5-methyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71716387
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
1,3-Dimethyl-5-ethyluracil
CID 141656
5-prop-2-enyl-1H-pyrimidine-2,4-dione
CID 255537
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 581039
Uracil, 1-allyl-3-ethyl-5-propyl-
CID 210803

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione (CID 24972392) is 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione is C=C(C)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SMHNTSOUFZRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(2)3-6-4-9-8(12)10-7(6)11/h4H,1,3H2,2H3,(H2,9,10,11,12).
What are the key properties of 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione?
5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione has a molecular weight of 166.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 24972392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).