N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

C18H12F2N6O — CID 74234143

IUPACN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESFc1cccc(F)c1-c1nc(CNc2nccc(-c3ccccn3)n2)no1
InChIInChI=1S/C18H12F2N6O/c19-11-4-3-5-12(20)16(11)17-25-15(26-27-17)10-23-18-22-9-7-14(24-18)13-6-1-2-8-21-13/h1-9H,10H2,(H,22,23,24)
InChIKeyUTMMWJBCBUSWLP-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.48
Rot. Bonds5

About N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 74234143) has the molecular formula C18H12F2N6O and a molecular weight of 366.33 g/mol. Its IUPAC name is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID74234143
Molecular FormulaC18H12F2N6O
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESFc1cccc(F)c1-c1nc(CNc2nccc(-c3ccccn3)n2)no1
InChIInChI=1S/C18H12F2N6O/c19-11-4-3-5-12(20)16(11)17-25-15(26-27-17)10-23-18-22-9-7-14(24-18)13-6-1-2-8-21-13/h1-9H,10H2,(H,22,23,24)
InChIKeyUTMMWJBCBUSWLP-UHFFFAOYSA-N
XLogP3.48
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine with MolForge

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Related Compounds

4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 72844380
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylaniline
CID 166314299
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one
CID 72846744
4-(2,6-difluorophenyl)-N-methylpyrimidin-2-amine
CID 63550141
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 20622527
pyrrolo[3,2-b]azepine
CID 66934182
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943
5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 155493383

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 74234143) is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is Fc1cccc(F)c1-c1nc(CNc2nccc(-c3ccccn3)n2)no1.
What is the InChIKey of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is UTMMWJBCBUSWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6O/c19-11-4-3-5-12(20)16(11)17-25-15(26-27-17)10-23-18-22-9-7-14(24-18)13-6-1-2-8-21-13/h1-9H,10H2,(H,22,23,24).
What are the key properties of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 366.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 74234143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).