3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one

C10H12N2O — CID 102923156

IUPAC3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
SMILESO=C(CCC1CC1)c1cncnc1
InChIInChI=1S/C10H12N2O/c13-10(4-3-8-1-2-8)9-5-11-7-12-6-9/h5-8H,1-4H2
InChIKeyRJXUGVQINHGVKQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.85
Rot. Bonds4

About 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one

3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one (PubChem CID 102923156) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
PubChem CID102923156
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
SMILESO=C(CCC1CC1)c1cncnc1
InChIInChI=1S/C10H12N2O/c13-10(4-3-8-1-2-8)9-5-11-7-12-6-9/h5-8H,1-4H2
InChIKeyRJXUGVQINHGVKQ-UHFFFAOYSA-N
XLogP1.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114965913
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3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 105107919
3-cyclopropyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 114877328
tert-butyl 4-oxo-4-pyrimidin-5-ylbutanoate
CID 121449097
3-cyclopropyl-1-(3-iodophenyl)propan-1-one
CID 114978242
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
1-pyrimidin-5-ylhex-5-en-1-one
CID 102923144
3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
CID 105085399
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
CID 114191877

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one (CID 102923156) is 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one is O=C(CCC1CC1)c1cncnc1.
What is the InChIKey of 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one?
The InChIKey is RJXUGVQINHGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10(4-3-8-1-2-8)9-5-11-7-12-6-9/h5-8H,1-4H2.
What are the key properties of 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one?
3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 102923156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).