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

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

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Related Compounds

2-(4-((2-Ethyl-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)methyl)phenyl)-5-(piperidin-4-yl)-1,3,4-oxadiazole
CID 68379135
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
N-(4-tert-butylphenyl)-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644873
N-[4-(propan-2-yl)phenyl]-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644874
N-(3-methylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644889
N-[2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
CID 10479082
US10590140, Example 100
CID 132088780
US10590140, Example 97
CID 132089169
US10590140, Example 107
CID 132089220
4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid
CID 10402880
Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate
CID 17748019
N-(3-acetylphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A13)
CID 76401490

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).