(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione

C10H10ClFN4O2 — CID 141492790

IUPAC(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@H]1C(=O)NC(=O)N1c1nc(Cl)ncc1F
InChIInChI=1S/C10H10ClFN4O2/c1-4(2)6-8(17)15-10(18)16(6)7-5(12)3-13-9(11)14-7/h3-4,6H,1-2H3,(H,15,17,18)/t6-/m0/s1
InChIKeyDILKOXQTLKMWED-LURJTMIESA-N
MW272.67 g/mol
LogP1.35
Rot. Bonds2

About (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione

(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 141492790) has the molecular formula C10H10ClFN4O2 and a molecular weight of 272.67 g/mol. Its IUPAC name is (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID141492790
Molecular FormulaC10H10ClFN4O2
Molecular Weight272.67 g/mol
Exact Mass272.05
IUPAC Name(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@H]1C(=O)NC(=O)N1c1nc(Cl)ncc1F
InChIInChI=1S/C10H10ClFN4O2/c1-4(2)6-8(17)15-10(18)16(6)7-5(12)3-13-9(11)14-7/h3-4,6H,1-2H3,(H,15,17,18)/t6-/m0/s1
InChIKeyDILKOXQTLKMWED-LURJTMIESA-N
XLogP1.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.67
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione (CID 141492790) is (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@H]1C(=O)NC(=O)N1c1nc(Cl)ncc1F.
What is the InChIKey of (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is DILKOXQTLKMWED-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClFN4O2/c1-4(2)6-8(17)15-10(18)16(6)7-5(12)3-13-9(11)14-7/h3-4,6H,1-2H3,(H,15,17,18)/t6-/m0/s1.
What are the key properties of (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 272.67 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 141492790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).