(4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one

C10H13FN4O — CID 140625276

IUPAC(4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1
InChIInChI=1S/C10H13FN4O/c1-6(2)8-5-15(10(16)14-8)9-12-3-7(11)4-13-9/h3-4,6,8H,5H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyAGUURNUHRACWFN-MRVPVSSYSA-N
MW224.24 g/mol
LogP1.17
Rot. Bonds2

About (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one

(4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 140625276) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
PubChem CID140625276
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name(4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1
InChIInChI=1S/C10H13FN4O/c1-6(2)8-5-15(10(16)14-8)9-12-3-7(11)4-13-9/h3-4,6,8H,5H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyAGUURNUHRACWFN-MRVPVSSYSA-N
XLogP1.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
N-(1-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}pyrrolidin-3-YL)acetamide
CID 77097348
2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide
CID 84591133
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 125443539
(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 164629261
(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 164632969
tert-Butyl 2-(((5-fluoropyrimidin-2-yl)amino)methyl)pyrrolidine-1-carboxylate
CID 60137513
tert-Butyl 3-((5-fluoropyrimidin-2-yl)amino)pyrrolidine-1-carboxylate
CID 66519824
N-[1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
CID 66624238
(R)-tert-butyl (1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl)carbamate
CID 71629106
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71643523

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one (CID 140625276) is (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1.
What is the InChIKey of (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is AGUURNUHRACWFN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-6(2)8-5-15(10(16)14-8)9-12-3-7(11)4-13-9/h3-4,6,8H,5H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
(4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 224.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 140625276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).