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

C19H15N5OS — CID 91892614

IUPACN-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCSc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H15N5OS/c1-26-15-9-7-14(8-10-15)22-18-16(11-20-12-21-18)19-23-17(24-25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,22)
InChIKeyRJQHRJLKOSVAMG-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.66
Rot. Bonds5

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

N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91892614) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91892614
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCSc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H15N5OS/c1-26-15-9-7-14(8-10-15)22-18-16(11-20-12-21-18)19-23-17(24-25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,22)
InChIKeyRJQHRJLKOSVAMG-UHFFFAOYSA-N
XLogP4.66
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91892614) is N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is CSc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is RJQHRJLKOSVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-26-15-9-7-14(8-10-15)22-18-16(11-20-12-21-18)19-23-17(24-25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 361.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91892614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).