2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole

C7H6N4O — CID 90064912

IUPAC2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ncccn2)o1
InChIInChI=1S/C7H6N4O/c1-5-10-11-7(12-5)6-8-3-2-4-9-6/h2-4H,1H3
InChIKeySHVHKIXCDMNPTP-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.84
Rot. Bonds1

About 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole

2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole (PubChem CID 90064912) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole
PubChem CID90064912
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ncccn2)o1
InChIInChI=1S/C7H6N4O/c1-5-10-11-7(12-5)6-8-3-2-4-9-6/h2-4H,1H3
InChIKeySHVHKIXCDMNPTP-UHFFFAOYSA-N
XLogP0.84
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole (CID 90064912) is 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole is Cc1nnc(-c2ncccn2)o1.
What is the InChIKey of 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?
The InChIKey is SHVHKIXCDMNPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-5-10-11-7(12-5)6-8-3-2-4-9-6/h2-4H,1H3.
What are the key properties of 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?
2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole has a molecular weight of 162.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrimidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 90064912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).