1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one

C24H25N3O2 — CID 126850699

IUPAC1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1nccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C24H25N3O2/c1-18-25-14-12-23(26-18)29-21-13-15-27(17-21)24(28)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,14,21-22H,13,15-17H2,1H3
InChIKeyIMQKIUPVNCVCQA-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.99
Rot. Bonds6

About 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one

1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 126850699) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID126850699
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCc1nccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C24H25N3O2/c1-18-25-14-12-23(26-18)29-21-13-15-27(17-21)24(28)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,14,21-22H,13,15-17H2,1H3
InChIKeyIMQKIUPVNCVCQA-UHFFFAOYSA-N
XLogP3.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 126852340
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
CID 122260810
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122243623

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one (CID 126850699) is 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one is Cc1nccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1.
What is the InChIKey of 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is IMQKIUPVNCVCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-25-14-12-23(26-18)29-21-13-15-27(17-21)24(28)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,14,21-22H,13,15-17H2,1H3.
What are the key properties of 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one?
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 387.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 126850699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).