(4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one

C11H15FN4O — CID 140625305

IUPAC(4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one
SMILESCC[C@H](C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1
InChIInChI=1S/C11H15FN4O/c1-3-7(2)9-6-16(11(17)15-9)10-13-4-8(12)5-14-10/h4-5,7,9H,3,6H2,1-2H3,(H,15,17)/t7-,9+/m0/s1
InChIKeyIAXNOSKATJBORQ-IONNQARKSA-N
MW238.27 g/mol
LogP1.56
Rot. Bonds3

About (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one

(4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one (PubChem CID 140625305) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one
PubChem CID140625305
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name(4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one
SMILESCC[C@H](C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1
InChIInChI=1S/C11H15FN4O/c1-3-7(2)9-6-16(11(17)15-9)10-13-4-8(12)5-14-10/h4-5,7,9H,3,6H2,1-2H3,(H,15,17)/t7-,9+/m0/s1
InChIKeyIAXNOSKATJBORQ-IONNQARKSA-N
XLogP1.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one?
The IUPAC name of (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one (CID 140625305) is (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one is CC[C@H](C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1.
What is the InChIKey of (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one?
The InChIKey is IAXNOSKATJBORQ-IONNQARKSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-3-7(2)9-6-16(11(17)15-9)10-13-4-8(12)5-14-10/h4-5,7,9H,3,6H2,1-2H3,(H,15,17)/t7-,9+/m0/s1.
What are the key properties of (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one?
(4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one has a molecular weight of 238.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one is sourced from PubChem (CID 140625305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).