[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C21H22N4O2 — CID 119100305

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1cc(C)nc(OC2CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)n1
InChIInChI=1S/C21H22N4O2/c1-15-13-16(2)23-21(22-15)27-19-9-12-25(14-19)20(26)17-5-7-18(8-6-17)24-10-3-4-11-24/h3-8,10-11,13,19H,9,12,14H2,1-2H3
InChIKeyMSHBWOGSSBMAQW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.18
Rot. Bonds4

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

[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 119100305) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID119100305
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1cc(C)nc(OC2CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)n1
InChIInChI=1S/C21H22N4O2/c1-15-13-16(2)23-21(22-15)27-19-9-12-25(14-19)20(26)17-5-7-18(8-6-17)24-10-3-4-11-24/h3-8,10-11,13,19H,9,12,14H2,1-2H3
InChIKeyMSHBWOGSSBMAQW-UHFFFAOYSA-N
XLogP3.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90637267
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90636828
1,3-benzodioxol-5-yl-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 124891027
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 119100344
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100780
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 121017545
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121017571

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 119100305) is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is Cc1cc(C)nc(OC2CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is MSHBWOGSSBMAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-13-16(2)23-21(22-15)27-19-9-12-25(14-19)20(26)17-5-7-18(8-6-17)24-10-3-4-11-24/h3-8,10-11,13,19H,9,12,14H2,1-2H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.18, 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]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 119100305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).