4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine

C21H20N6O — CID 56865485

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N(C)Cc3nnc(-c4ccccc4)o3)n2)c(C)n1
InChIInChI=1S/C21H20N6O/c1-14-9-10-17(15(2)23-14)18-11-12-22-21(24-18)27(3)13-19-25-26-20(28-19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyJUEQGSRPJDKUAH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.84
Rot. Bonds5

About 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 56865485) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID56865485
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N(C)Cc3nnc(-c4ccccc4)o3)n2)c(C)n1
InChIInChI=1S/C21H20N6O/c1-14-9-10-17(15(2)23-14)18-11-12-22-21(24-18)27(3)13-19-25-26-20(28-19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyJUEQGSRPJDKUAH-UHFFFAOYSA-N
XLogP3.84
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine (CID 56865485) is 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine is Cc1ccc(-c2ccnc(N(C)Cc3nnc(-c4ccccc4)o3)n2)c(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is JUEQGSRPJDKUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14-9-10-17(15(2)23-14)18-11-12-22-21(24-18)27(3)13-19-25-26-20(28-19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 372.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56865485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).