1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone

C9H10N2O — CID 154624191

IUPAC1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1c1cncnc1
InChIInChI=1S/C9H10N2O/c1-6(12)8-2-9(8)7-3-10-5-11-4-7/h3-5,8-9H,2H2,1H3/t8-,9-/m0/s1
InChIKeyXYWZDCWFXGGIPY-IUCAKERBSA-N
MW162.19 g/mol
LogP1.17
Rot. Bonds2

About 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone

1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone (PubChem CID 154624191) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone
PubChem CID154624191
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1c1cncnc1
InChIInChI=1S/C9H10N2O/c1-6(12)8-2-9(8)7-3-10-5-11-4-7/h3-5,8-9H,2H2,1H3/t8-,9-/m0/s1
InChIKeyXYWZDCWFXGGIPY-IUCAKERBSA-N
XLogP1.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 130922382
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone
CID 156514517
1-[2-(furan-3-yl)cyclopropyl]ethanone
CID 63204245
5-(2-chlorocyclopropyl)pyrimidine
CID 174618230
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
CID 79980851
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
[(1R)-2-pyrimidin-5-ylcyclopropyl]methanol
CID 146166086

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone (CID 154624191) is 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone is CC(=O)[C@@H]1C[C@H]1c1cncnc1.
What is the InChIKey of 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone?
The InChIKey is XYWZDCWFXGGIPY-IUCAKERBSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(12)8-2-9(8)7-3-10-5-11-4-7/h3-5,8-9H,2H2,1H3/t8-,9-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone?
1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone has a molecular weight of 162.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone is sourced from PubChem (CID 154624191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).