(4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one

C11H14ClFN4O — CID 130469732

IUPAC(4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1nc(Cl)ncc1F
InChIInChI=1S/C11H14ClFN4O/c1-6(2)8-5-16(3)11(18)17(8)9-7(13)4-14-10(12)15-9/h4,6,8H,5H2,1-3H3/t8-/m1/s1
InChIKeyZKFJXAJWSXYOKH-MRVPVSSYSA-N
MW272.71 g/mol
LogP2.17
Rot. Bonds2

About (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one

(4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 130469732) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID130469732
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC Name(4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1nc(Cl)ncc1F
InChIInChI=1S/C11H14ClFN4O/c1-6(2)8-5-16(3)11(18)17(8)9-7(13)4-14-10(12)15-9/h4,6,8H,5H2,1-3H3/t8-/m1/s1
InChIKeyZKFJXAJWSXYOKH-MRVPVSSYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
CID 51138331
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
2-Chloro-5-fluoro-4-(3-methylpyrrolidin-1-yl)pyrimidine
CID 79080984
2-Chloro-5-fluoro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 79081836
(S)-tert-butyl 3-(2-chloro-5-fluoropyrimidin-4-ylamino)pyrrolidine-1-carboxylate
CID 86667413
(4S)-4-(Propan-2-yl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
CID 86705168
(S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-4-isopropyloxazolidin-2-one
CID 86730286
(3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]pyrrolidine-1-carboxylic acid
CID 87527474
3-[(3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-oxopropanenitrile
CID 87608031
tert-butyl (3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 87608036
Tert-butyl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 88548704
3-(2-Chloro-5-fluoropyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479130

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one (CID 130469732) is (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(C)C(=O)N1c1nc(Cl)ncc1F.
What is the InChIKey of (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is ZKFJXAJWSXYOKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClFN4O/c1-6(2)8-5-16(3)11(18)17(8)9-7(13)4-14-10(12)15-9/h4,6,8H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one?
(4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 272.71 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 130469732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).