2-propyl-1H-pyrimidine-4,6-dione

C7H10N2O2 — CID 134558394

IUPAC2-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C7H10N2O2/c1-2-3-5-8-6(10)4-7(11)9-5/h2-4H2,1H3,(H,8,9,10,11)
InChIKeyQKWQPCDETQYPGU-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.23
Rot. Bonds2

About 2-propyl-1H-pyrimidine-4,6-dione

2-propyl-1H-pyrimidine-4,6-dione (PubChem CID 134558394) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-propyl-1H-pyrimidine-4,6-dione
PubChem CID134558394
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C7H10N2O2/c1-2-3-5-8-6(10)4-7(11)9-5/h2-4H2,1H3,(H,8,9,10,11)
InChIKeyQKWQPCDETQYPGU-UHFFFAOYSA-N
XLogP0.23
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4,6-pyrimidinedione
CID 580924
5-fluoro-2-methyl-1H-pyrimidine-4,6-dione
CID 77520036
2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
2-(3-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550516
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862
2-(2-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550981
2-(5-fluoro-4,6-dioxo-1H-pyrimidin-2-yl)acetamide
CID 84074890
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
2-tert-butyl-1H-pyrimidine-4,6-dione
CID 58907282

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-propyl-1H-pyrimidine-4,6-dione (CID 134558394) is 2-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-propyl-1H-pyrimidine-4,6-dione is CCCC1=NC(=O)CC(=O)N1.
What is the InChIKey of 2-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is QKWQPCDETQYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-5-8-6(10)4-7(11)9-5/h2-4H2,1H3,(H,8,9,10,11).
What are the key properties of 2-propyl-1H-pyrimidine-4,6-dione?
2-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 154.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 134558394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).