[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

C18H20FN3O3 — CID 119100344

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-11-8-12(2)21-18(20-11)25-14-6-7-22(10-14)17(23)13-4-5-16(24-3)15(19)9-13/h4-5,8-9,14H,6-7,10H2,1-3H3
InChIKeyIWEFKXFFQMXLBJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.53
Rot. Bonds4

About [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 119100344) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID119100344
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-11-8-12(2)21-18(20-11)25-14-6-7-22(10-14)17(23)13-4-5-16(24-3)15(19)9-13/h4-5,8-9,14H,6-7,10H2,1-3H3
InChIKeyIWEFKXFFQMXLBJ-UHFFFAOYSA-N
XLogP2.53
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
[3-(5-bromopyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126854620
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815865
(3-fluoro-4-methoxyphenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122160980
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
1,3-benzodioxol-5-yl-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 124891027
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 121197580
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100305
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 119100344) is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(Oc3nc(C)cc(C)n3)C2)cc1F.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is IWEFKXFFQMXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11-8-12(2)21-18(20-11)25-14-6-7-22(10-14)17(23)13-4-5-16(24-3)15(19)9-13/h4-5,8-9,14H,6-7,10H2,1-3H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 345.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 119100344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).