[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C20H23N3O — CID 110259293

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C)nc(C2CCN(C(=O)C3(c4ccccc4)CC3)C2)n1
InChIInChI=1S/C20H23N3O/c1-14-12-15(2)22-18(21-14)16-8-11-23(13-16)19(24)20(9-10-20)17-6-4-3-5-7-17/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyDDSWCNJIFVPPMJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.14
Rot. Bonds3

About [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 110259293) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID110259293
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C)nc(C2CCN(C(=O)C3(c4ccccc4)CC3)C2)n1
InChIInChI=1S/C20H23N3O/c1-14-12-15(2)22-18(21-14)16-8-11-23(13-16)19(24)20(9-10-20)17-6-4-3-5-7-17/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyDDSWCNJIFVPPMJ-UHFFFAOYSA-N
XLogP3.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91915215
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 56823628
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 121019657
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 110259293) is [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is Cc1cc(C)nc(C2CCN(C(=O)C3(c4ccccc4)CC3)C2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is DDSWCNJIFVPPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-12-15(2)22-18(21-14)16-8-11-23(13-16)19(24)20(9-10-20)17-6-4-3-5-7-17/h3-7,12,16H,8-11,13H2,1-2H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 110259293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).