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

C8H7ClN4O2 — CID 114582371

IUPAC6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1nc(Cn2cnc(Cl)cc2=O)no1
InChIInChI=1S/C8H7ClN4O2/c1-5-11-7(12-15-5)3-13-4-10-6(9)2-8(13)14/h2,4H,3H2,1H3
InChIKeyQTPUKIWDMARTQW-UHFFFAOYSA-N
MW226.62 g/mol
LogP0.64
Rot. Bonds2

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

6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 114582371) has the molecular formula C8H7ClN4O2 and a molecular weight of 226.62 g/mol. Its IUPAC name is 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
PubChem CID114582371
Molecular FormulaC8H7ClN4O2
Molecular Weight226.62 g/mol
Exact Mass226.03
IUPAC Name6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
SMILESCc1nc(Cn2cnc(Cl)cc2=O)no1
InChIInChI=1S/C8H7ClN4O2/c1-5-11-7(12-15-5)3-13-4-10-6(9)2-8(13)14/h2,4H,3H2,1H3
InChIKeyQTPUKIWDMARTQW-UHFFFAOYSA-N
XLogP0.64
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 114582219
3-[(4,5-dimethylimidazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 115624837
6-chloro-3-[(3,5-dimethylphenyl)methyl]pyrimidin-4-one
CID 114582049
6-chloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582051
5-methyl-3-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole
CID 115773544
6-chloro-3-[(5-chlorothiophen-2-yl)methyl]pyrimidin-4-one
CID 114582090
5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 81422735
6-chloro-3-(1,3-thiazol-4-ylmethyl)pyrimidin-4-one
CID 114582153
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114582367
6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61355101
6-chloro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 114582074

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one (CID 114582371) is 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one is Cc1nc(Cn2cnc(Cl)cc2=O)no1.
What is the InChIKey of 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is QTPUKIWDMARTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2/c1-5-11-7(12-15-5)3-13-4-10-6(9)2-8(13)14/h2,4H,3H2,1H3.
What are the key properties of 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one?
6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 226.62 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).