N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C20H17N5O — CID 91892569

IUPACN-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C20H17N5O/c1-13-7-6-10-17(14(13)2)23-19-16(11-21-12-22-19)20-24-18(25-26-20)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyGSNUIFZCIWJQJW-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.55
Rot. Bonds4

About N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91892569) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91892569
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C20H17N5O/c1-13-7-6-10-17(14(13)2)23-19-16(11-21-12-22-19)20-24-18(25-26-20)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyGSNUIFZCIWJQJW-UHFFFAOYSA-N
XLogP4.55
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91892569) is N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Cc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is GSNUIFZCIWJQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-7-6-10-17(14(13)2)23-19-16(11-21-12-22-19)20-24-18(25-26-20)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 343.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91892569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).