N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine

C14H14N6O — CID 45189437

IUPACN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(N(C)Cc3ccncn3)nc2)n1
InChIInChI=1S/C14H14N6O/c1-10-18-14(21-19-10)11-3-4-13(16-7-11)20(2)8-12-5-6-15-9-17-12/h3-7,9H,8H2,1-2H3
InChIKeyMTLBURDJJHSCKY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine

N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine (PubChem CID 45189437) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
PubChem CID45189437
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(N(C)Cc3ccncn3)nc2)n1
InChIInChI=1S/C14H14N6O/c1-10-18-14(21-19-10)11-3-4-13(16-7-11)20(2)8-12-5-6-15-9-17-12/h3-7,9H,8H2,1-2H3
InChIKeyMTLBURDJJHSCKY-UHFFFAOYSA-N
XLogP1.87
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine (CID 45189437) is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine is Cc1noc(-c2ccc(N(C)Cc3ccncn3)nc2)n1.
What is the InChIKey of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is MTLBURDJJHSCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-10-18-14(21-19-10)11-3-4-13(16-7-11)20(2)8-12-5-6-15-9-17-12/h3-7,9H,8H2,1-2H3.
What are the key properties of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyrimidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 45189437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).