1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

C19H23N3O3 — CID 110270128

IUPAC1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(C)cc(Oc3ccc(OC)cc3)n2)C1
InChIInChI=1S/C19H23N3O3/c1-4-18(23)22-10-9-14(12-22)19-20-13(2)11-17(21-19)25-16-7-5-15(24-3)6-8-16/h5-8,11,14H,4,9-10,12H2,1-3H3
InChIKeyRSXNCIFFDXLWLE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.31
Rot. Bonds5

About 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110270128) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110270128
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(C)cc(Oc3ccc(OC)cc3)n2)C1
InChIInChI=1S/C19H23N3O3/c1-4-18(23)22-10-9-14(12-22)19-20-13(2)11-17(21-19)25-16-7-5-15(24-3)6-8-16/h5-8,11,14H,4,9-10,12H2,1-3H3
InChIKeyRSXNCIFFDXLWLE-UHFFFAOYSA-N
XLogP3.31
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95843653
1-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270129
cyclopropyl-[(3S)-3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822246
[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110270342
cyclopropyl-[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95843562
1-[3-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110256208
1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110256190
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
4-(4-methoxyphenoxy)-6-methyl-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 95844005
2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 95823280
4-[6-methyl-2-[1-(2-methylprop-2-enoyl)piperidin-3-yl]pyrimidin-4-yl]oxybenzamide
CID 175656198
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 110270128) is 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nc(C)cc(Oc3ccc(OC)cc3)n2)C1.
What is the InChIKey of 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is RSXNCIFFDXLWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-18(23)22-10-9-14(12-22)19-20-13(2)11-17(21-19)25-16-7-5-15(24-3)6-8-16/h5-8,11,14H,4,9-10,12H2,1-3H3.
What are the key properties of 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110270128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).