3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one

C14H11BrClFN2O — CID 114584683

IUPAC3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrClFN2O/c15-10-5-8(1-4-11(10)17)7-19-13(20)6-12(16)18-14(19)9-2-3-9/h1,4-6,9H,2-3,7H2
InChIKeyUGMFLCYFZZDLHG-UHFFFAOYSA-N
MW357.61 g/mol
LogP3.72
Rot. Bonds3

About 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one

3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one (PubChem CID 114584683) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one
PubChem CID114584683
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrClFN2O/c15-10-5-8(1-4-11(10)17)7-19-13(20)6-12(16)18-14(19)9-2-3-9/h1,4-6,9H,2-3,7H2
InChIKeyUGMFLCYFZZDLHG-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one
CID 114584726
6-chloro-2-cyclopropyl-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114584517
6-chloro-3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylpyrimidin-4-one
CID 114584507
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 114584626
6-chloro-2-cyclopropyl-3-(3-methylbutyl)pyrimidin-4-one
CID 114584663
6-chloro-2-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 114584541
1-[(3-bromo-4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 54971038
6-chloro-2-cyclopropyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
CID 114584771
1-[(3-bromo-4-fluorophenyl)methyl]azetidin-3-amine
CID 65244841
6-amino-3-[(4-chlorophenyl)methyl]-2-cyclopropylquinazolin-4-one
CID 1456616
3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584749
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one?
The IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one (CID 114584683) is 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one?
The canonical SMILES for 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one?
The InChIKey is UGMFLCYFZZDLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c15-10-5-8(1-4-11(10)17)7-19-13(20)6-12(16)18-14(19)9-2-3-9/h1,4-6,9H,2-3,7H2.
What are the key properties of 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one?
3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one has a molecular weight of 357.61 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-fluorophenyl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 114584683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).