(4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one

C12H15FN4O — CID 137439938

IUPAC(4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one
SMILESCCN1C[C@H](C2CC2)N(c2ccnc(F)n2)C1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-7-9(8-3-4-8)17(12(16)18)10-5-6-14-11(13)15-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeySHUYZKHJVIIDAY-SECBINFHSA-N
MW250.28 g/mol
LogP1.66
Rot. Bonds3

About (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one

(4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one (PubChem CID 137439938) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one
PubChem CID137439938
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name(4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one
SMILESCCN1C[C@H](C2CC2)N(c2ccnc(F)n2)C1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-7-9(8-3-4-8)17(12(16)18)10-5-6-14-11(13)15-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeySHUYZKHJVIIDAY-SECBINFHSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one?
The IUPAC name of (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one (CID 137439938) is (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one is CCN1C[C@H](C2CC2)N(c2ccnc(F)n2)C1=O.
What is the InChIKey of (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one?
The InChIKey is SHUYZKHJVIIDAY-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-2-16-7-9(8-3-4-8)17(12(16)18)10-5-6-14-11(13)15-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one?
(4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one has a molecular weight of 250.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-1-ethyl-3-(2-fluoropyrimidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 137439938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).