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

C10H10IN3O2 — CID 66341320

IUPAC5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one
SMILESCc1cc(Cn2cnc(C)c(I)c2=O)on1
InChIInChI=1S/C10H10IN3O2/c1-6-3-8(16-13-6)4-14-5-12-7(2)9(11)10(14)15/h3,5H,4H2,1-2H3
InChIKeyNSBZLSDGLPWGTB-UHFFFAOYSA-N
MW331.11 g/mol
LogP1.50
Rot. Bonds2

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

5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one (PubChem CID 66341320) has the molecular formula C10H10IN3O2 and a molecular weight of 331.11 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one
PubChem CID66341320
Molecular FormulaC10H10IN3O2
Molecular Weight331.11 g/mol
Exact Mass330.98
IUPAC Name5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one
SMILESCc1cc(Cn2cnc(C)c(I)c2=O)on1
InChIInChI=1S/C10H10IN3O2/c1-6-3-8(16-13-6)4-14-5-12-7(2)9(11)10(14)15/h3,5H,4H2,1-2H3
InChIKeyNSBZLSDGLPWGTB-UHFFFAOYSA-N
XLogP1.50
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one (CID 66341320) is 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one is Cc1cc(Cn2cnc(C)c(I)c2=O)on1.
What is the InChIKey of 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one?
The InChIKey is NSBZLSDGLPWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O2/c1-6-3-8(16-13-6)4-14-5-12-7(2)9(11)10(14)15/h3,5H,4H2,1-2H3.
What are the key properties of 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one?
5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one has a molecular weight of 331.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66341320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).