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

C19H13F2N5O — CID 91892578

IUPACN-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESFc1cc(F)cc(CNc2ncncc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H13F2N5O/c20-14-6-12(7-15(21)8-14)9-23-18-16(10-22-11-24-18)19-25-17(26-27-19)13-4-2-1-3-5-13/h1-8,10-11H,9H2,(H,22,23,24)
InChIKeyWJUZDVYFDAESCD-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.08
Rot. Bonds5

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

N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91892578) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91892578
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESFc1cc(F)cc(CNc2ncncc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C19H13F2N5O/c20-14-6-12(7-15(21)8-14)9-23-18-16(10-22-11-24-18)19-25-17(26-27-19)13-4-2-1-3-5-13/h1-8,10-11H,9H2,(H,22,23,24)
InChIKeyWJUZDVYFDAESCD-UHFFFAOYSA-N
XLogP4.08
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91892578) is N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Fc1cc(F)cc(CNc2ncncc2-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is WJUZDVYFDAESCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c20-14-6-12(7-15(21)8-14)9-23-18-16(10-22-11-24-18)19-25-17(26-27-19)13-4-2-1-3-5-13/h1-8,10-11H,9H2,(H,22,23,24).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 365.34 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91892578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).