5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one

C10H10BrN3O2 — CID 66310447

IUPAC5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1cc(Cn2cnc(C)c(Br)c2=O)no1
InChIInChI=1S/C10H10BrN3O2/c1-6-3-8(13-16-6)4-14-5-12-7(2)9(11)10(14)15/h3,5H,4H2,1-2H3
InChIKeyNOXPCSFWXNVQOU-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.66
Rot. Bonds2

About 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one

5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 66310447) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one
PubChem CID66310447
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1cc(Cn2cnc(C)c(Br)c2=O)no1
InChIInChI=1S/C10H10BrN3O2/c1-6-3-8(13-16-6)4-14-5-12-7(2)9(11)10(14)15/h3,5H,4H2,1-2H3
InChIKeyNOXPCSFWXNVQOU-UHFFFAOYSA-N
XLogP1.66
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one (CID 66310447) is 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one is Cc1cc(Cn2cnc(C)c(Br)c2=O)no1.
What is the InChIKey of 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is NOXPCSFWXNVQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-6-3-8(13-16-6)4-14-5-12-7(2)9(11)10(14)15/h3,5H,4H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one?
5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 284.11 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66310447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).