4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one

C13H11ClN2O — CID 136910495

IUPAC4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-2-9(6-10)11-7-12(17)16-13(15-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16,17)
InChIKeyVLTQMLUFTGSPNL-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.97
Rot. Bonds2

About 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one

4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136910495) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136910495
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H11ClN2O/c14-10-3-1-2-9(6-10)11-7-12(17)16-13(15-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16,17)
InChIKeyVLTQMLUFTGSPNL-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one
CID 136692579
4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136955676
4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770507
2-cyclopropyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692778
2-(1,1-dioxothiolan-3-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136965600
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474
3-(3-chlorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 61337346
2-cyclopropyl-4-(2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 136692612
4-(chloromethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 135524389
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
CID 141270020

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136910495) is 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(-c2cccc(Cl)c2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is VLTQMLUFTGSPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-3-1-2-9(6-10)11-7-12(17)16-13(15-11)8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16,17).
What are the key properties of 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 246.70 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136910495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).