N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C20H17N5O — CID 91909234

IUPACN-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H17N5O/c1-14-7-9-15(10-8-14)11-22-19-17(12-21-13-23-19)20-24-18(25-26-20)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3,(H,21,22,23)
InChIKeySJTIUVNWJZSGJQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.11
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91909234) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91909234
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESCc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H17N5O/c1-14-7-9-15(10-8-14)11-22-19-17(12-21-13-23-19)20-24-18(25-26-20)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3,(H,21,22,23)
InChIKeySJTIUVNWJZSGJQ-UHFFFAOYSA-N
XLogP4.11
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91909234) is N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Cc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is SJTIUVNWJZSGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-7-9-15(10-8-14)11-22-19-17(12-21-13-23-19)20-24-18(25-26-20)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3,(H,21,22,23).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 343.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91909234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).