1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one

C12H17FN4O — CID 138554585

IUPAC1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCCN1CC(C(C)C)N(c2ccnc(F)n2)C1=O
InChIInChI=1S/C12H17FN4O/c1-4-16-7-9(8(2)3)17(12(16)18)10-5-6-14-11(13)15-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOCSGBZKPCSJAPU-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.90
Rot. Bonds3

About 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one

1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 138554585) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one
PubChem CID138554585
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCCN1CC(C(C)C)N(c2ccnc(F)n2)C1=O
InChIInChI=1S/C12H17FN4O/c1-4-16-7-9(8(2)3)17(12(16)18)10-5-6-14-11(13)15-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOCSGBZKPCSJAPU-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one (CID 138554585) is 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one is CCN1CC(C(C)C)N(c2ccnc(F)n2)C1=O.
What is the InChIKey of 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is OCSGBZKPCSJAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-4-16-7-9(8(2)3)17(12(16)18)10-5-6-14-11(13)15-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one?
1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluoropyrimidin-4-yl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138554585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).