2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione

C9H14N2O2 — CID 74447507

IUPAC2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(CC(C)C)C(=O)N1
InChIInChI=1S/C9H14N2O2/c1-5(2)4-7-8(12)10-6(3)11-9(7)13/h5,7H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyWIEACTXWKSDDMT-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.72
Rot. Bonds2

About 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione

2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione (PubChem CID 74447507) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione
PubChem CID74447507
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(CC(C)C)C(=O)N1
InChIInChI=1S/C9H14N2O2/c1-5(2)4-7-8(12)10-6(3)11-9(7)13/h5,7H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyWIEACTXWKSDDMT-UHFFFAOYSA-N
XLogP0.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione (CID 74447507) is 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione is CC1=NC(=O)C(CC(C)C)C(=O)N1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione?
The InChIKey is WIEACTXWKSDDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)4-7-8(12)10-6(3)11-9(7)13/h5,7H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione?
2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione has a molecular weight of 182.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 74447507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).