5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one

C10H9BrN4O2 — CID 66309150

IUPAC5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1noc(C2CC2)n1
InChIInChI=1S/C10H9BrN4O2/c11-7-3-12-5-15(10(7)16)4-8-13-9(17-14-8)6-1-2-6/h3,5-6H,1-2,4H2
InChIKeySZUURHLZHFVCMO-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.31
Rot. Bonds3

About 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one

5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 66309150) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
PubChem CID66309150
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1noc(C2CC2)n1
InChIInChI=1S/C10H9BrN4O2/c11-7-3-12-5-15(10(7)16)4-8-13-9(17-14-8)6-1-2-6/h3,5-6H,1-2,4H2
InChIKeySZUURHLZHFVCMO-UHFFFAOYSA-N
XLogP1.31
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961073
5-bromo-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyridin-2-one
CID 81422093
5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 66309135
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 61495208
(3aS,7aS)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 95179461
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-one
CID 99836476
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyridin-2-one
CID 60564994
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 62129263
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
CID 62222657
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
CID 66398685
5-cyclopropyl-3-[[5-(2-methyl-1,3-thiazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 50977488

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one (CID 66309150) is 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one is O=c1c(Br)cncn1Cc1noc(C2CC2)n1.
What is the InChIKey of 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is SZUURHLZHFVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-7-3-12-5-15(10(7)16)4-8-13-9(17-14-8)6-1-2-6/h3,5-6H,1-2,4H2.
What are the key properties of 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 297.11 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66309150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).