6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione

C22H20N2O3 — CID 10642261

IUPAC6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c([C@H]2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C22H20N2O3/c1-23-16(13-17(25)24(2)22(23)27)19-18(14-9-5-3-6-10-14)20(19)21(26)15-11-7-4-8-12-15/h3-13,18-20H,1-2H3/t18-,19-,20+/m1/s1
InChIKeyPQYNVZNTXULWHE-AQNXPRMDSA-N
MW360.41 g/mol
LogP2.46
Rot. Bonds4

About 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 10642261) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID10642261
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c([C@H]2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C22H20N2O3/c1-23-16(13-17(25)24(2)22(23)27)19-18(14-9-5-3-6-10-14)20(19)21(26)15-11-7-4-8-12-15/h3-13,18-20H,1-2H3/t18-,19-,20+/m1/s1
InChIKeyPQYNVZNTXULWHE-AQNXPRMDSA-N
XLogP2.46
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
CID 11156987
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
CID 11775167
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
CID 20723879
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
[(2S)-2-methylbutyl] 4-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]benzoate
CID 11177407
methyl (2S)-2-[[3-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoyl]amino]-2-phenylacetate
CID 101168963
[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6348954
[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]-phenylmethanone
CID 6565595

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione (CID 10642261) is 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c([C@H]2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PQYNVZNTXULWHE-AQNXPRMDSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-23-16(13-17(25)24(2)22(23)27)19-18(14-9-5-3-6-10-14)20(19)21(26)15-11-7-4-8-12-15/h3-13,18-20H,1-2H3/t18-,19-,20+/m1/s1.
What are the key properties of 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2S,3R)-2-benzoyl-3-phenylcyclopropyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 10642261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).