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

C19H16N6O — CID 127040574

IUPACN-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nnc(-c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)o1
InChIInChI=1S/C19H16N6O/c1-12-5-6-14(18-25-24-13(2)26-18)10-17(12)23-19-21-9-7-16(22-19)15-4-3-8-20-11-15/h3-11H,1-2H3,(H,21,22,23)
InChIKeyCUCYPRGXRANLAG-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.95
Rot. Bonds4

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

N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 127040574) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID127040574
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nnc(-c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)o1
InChIInChI=1S/C19H16N6O/c1-12-5-6-14(18-25-24-13(2)26-18)10-17(12)23-19-21-9-7-16(22-19)15-4-3-8-20-11-15/h3-11H,1-2H3,(H,21,22,23)
InChIKeyCUCYPRGXRANLAG-UHFFFAOYSA-N
XLogP3.95
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 127040574) is N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is Cc1nnc(-c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)o1.
What is the InChIKey of N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is CUCYPRGXRANLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-5-6-14(18-25-24-13(2)26-18)10-17(12)23-19-21-9-7-16(22-19)15-4-3-8-20-11-15/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 344.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 127040574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).