[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine

C12H10N6O — CID 115528746

IUPAC[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(-c3ccncn3)no2)ccn1
InChIInChI=1S/C12H10N6O/c13-6-9-5-8(1-4-15-9)12-17-11(18-19-12)10-2-3-14-7-16-10/h1-5,7H,6,13H2
InChIKeyWQJBCZZZUHFUED-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.05
Rot. Bonds3

About [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine

[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine (PubChem CID 115528746) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
PubChem CID115528746
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(-c3ccncn3)no2)ccn1
InChIInChI=1S/C12H10N6O/c13-6-9-5-8(1-4-15-9)12-17-11(18-19-12)10-2-3-14-7-16-10/h1-5,7H,6,13H2
InChIKeyWQJBCZZZUHFUED-UHFFFAOYSA-N
XLogP1.05
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012853
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
CID 113329157
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 115528772
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949
[4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 116741181
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904

Frequently Asked Questions

What is the IUPAC name of [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine (CID 115528746) is [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine is NCc1cc(-c2nc(-c3ccncn3)no2)ccn1.
What is the InChIKey of [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
The InChIKey is WQJBCZZZUHFUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-6-9-5-8(1-4-15-9)12-17-11(18-19-12)10-2-3-14-7-16-10/h1-5,7H,6,13H2.
What are the key properties of [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine?
[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine has a molecular weight of 254.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 115528746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).