1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione

C9H14N2O2 — CID 146614605

IUPAC1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C(C)C)C(=O)N1C
InChIInChI=1S/C9H14N2O2/c1-5(2)7-8(12)10-6(3)11(4)9(7)13/h5,7H,1-4H3
InChIKeyRUCSQDCHPJPTGT-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.68
Rot. Bonds1

About 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione

1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione (PubChem CID 146614605) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione.

Molecular Properties

Compound Name1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione
PubChem CID146614605
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C(C)C)C(=O)N1C
InChIInChI=1S/C9H14N2O2/c1-5(2)7-8(12)10-6(3)11(4)9(7)13/h5,7H,1-4H3
InChIKeyRUCSQDCHPJPTGT-UHFFFAOYSA-N
XLogP0.68
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
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 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione?
The IUPAC name of 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione (CID 146614605) is 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione.
What is the SMILES notation for 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione?
The canonical SMILES for 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione is CC1=NC(=O)C(C(C)C)C(=O)N1C.
What is the InChIKey of 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione?
The InChIKey is RUCSQDCHPJPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)7-8(12)10-6(3)11(4)9(7)13/h5,7H,1-4H3.
What are the key properties of 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione?
1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione has a molecular weight of 182.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-propan-2-ylpyrimidine-4,6-dione is sourced from PubChem (CID 146614605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).