1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione

C12H20N2O2 — CID 166717073

IUPAC1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione
SMILESCCn1cc(C(C)C)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C12H20N2O2/c1-6-13-7-10(8(2)3)11(15)14(9(4)5)12(13)16/h7-9H,6H2,1-5H3
InChIKeyFOMLUOBRSQYFHR-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.73
Rot. Bonds3

About 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione

1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione (PubChem CID 166717073) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione
PubChem CID166717073
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione
SMILESCCn1cc(C(C)C)c(=O)n(C(C)C)c1=O
InChIInChI=1S/C12H20N2O2/c1-6-13-7-10(8(2)3)11(15)14(9(4)5)12(13)16/h7-9H,6H2,1-5H3
InChIKeyFOMLUOBRSQYFHR-UHFFFAOYSA-N
XLogP1.73
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione (CID 166717073) is 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione is CCn1cc(C(C)C)c(=O)n(C(C)C)c1=O.
What is the InChIKey of 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione?
The InChIKey is FOMLUOBRSQYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-6-13-7-10(8(2)3)11(15)14(9(4)5)12(13)16/h7-9H,6H2,1-5H3.
What are the key properties of 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione?
1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-di(propan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 166717073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).