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

C8H8N4O2 — CID 115679490

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCc1nnc(Cn2cnccc2=O)o1
InChIInChI=1S/C8H8N4O2/c1-6-10-11-7(14-6)4-12-5-9-3-2-8(12)13/h2-3,5H,4H2,1H3
InChIKeyDIPKDYGSGQTDHU-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.02
Rot. Bonds2

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

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one (PubChem CID 115679490) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
PubChem CID115679490
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCc1nnc(Cn2cnccc2=O)o1
InChIInChI=1S/C8H8N4O2/c1-6-10-11-7(14-6)4-12-5-9-3-2-8(12)13/h2-3,5H,4H2,1H3
InChIKeyDIPKDYGSGQTDHU-UHFFFAOYSA-N
XLogP-0.02
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylpyrimidin-4-one
CID 119051691
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 115679422
5-methyl-4-[(6-oxopyrimidin-1-yl)methyl]furan-2-carboxylic acid
CID 63770228
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
3-butylpyrimidin-4-one
CID 115679478
3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one
CID 115749780
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
CID 115576185
3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
CID 103015543
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069
3-[[4-(dimethylaminosulfanyl)phenyl]methyl]pyrimidin-4-one
CID 166530382
3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
CID 115679486

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one (CID 115679490) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one is Cc1nnc(Cn2cnccc2=O)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
The InChIKey is DIPKDYGSGQTDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-6-10-11-7(14-6)4-12-5-9-3-2-8(12)13/h2-3,5H,4H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one has a molecular weight of 192.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115679490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).