5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C7H7N5O — CID 151206615

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1noc(-c2cncnc2N)n1
InChIInChI=1S/C7H7N5O/c1-4-11-7(13-12-4)5-2-9-3-10-6(5)8/h2-3H,1H3,(H2,8,9,10)
InChIKeyNJKBZIBKDVRSNM-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.42
Rot. Bonds1

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 151206615) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID151206615
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1noc(-c2cncnc2N)n1
InChIInChI=1S/C7H7N5O/c1-4-11-7(13-12-4)5-2-9-3-10-6(5)8/h2-3H,1H3,(H2,8,9,10)
InChIKeyNJKBZIBKDVRSNM-UHFFFAOYSA-N
XLogP0.42
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 151206615) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Cc1noc(-c2cncnc2N)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is NJKBZIBKDVRSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-4-11-7(13-12-4)5-2-9-3-10-6(5)8/h2-3H,1H3,(H2,8,9,10).
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 177.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 151206615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).