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

C23H24N6O — CID 56838240

IUPAC5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1
InChIInChI=1S/C23H24N6O/c1-14(2)23(4,21-28-20(30-29-21)17-6-5-15(3)25-11-17)19-9-7-16(8-10-19)18-12-26-22(24)27-13-18/h5-14H,1-4H3,(H2,24,26,27)
InChIKeyBKXJVLTTZQEDPB-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.44
Rot. Bonds5

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

5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 56838240) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
PubChem CID56838240
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1
InChIInChI=1S/C23H24N6O/c1-14(2)23(4,21-28-20(30-29-21)17-6-5-15(3)25-11-17)19-9-7-16(8-10-19)18-12-26-22(24)27-13-18/h5-14H,1-4H3,(H2,24,26,27)
InChIKeyBKXJVLTTZQEDPB-UHFFFAOYSA-N
XLogP4.44
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 56837378
5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 56837379
5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952664
1-[3-[(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(2S)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 158740628
5-[5-[(2R)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952953
5-[5-[(2S)-3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952958
5-[4-[2-[5-[4-(dimethylamino)piperidin-1-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
CID 66764893
3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine
CID 56839984
5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 148761697
6-[[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyridin-2-one
CID 142714839
5-[5-[(2R)-2-[5-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952456
(2R)-1-[[5-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol
CID 56953240

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (CID 56838240) is 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is Cc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.
What is the InChIKey of 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
The InChIKey is BKXJVLTTZQEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14(2)23(4,21-28-20(30-29-21)17-6-5-15(3)25-11-17)19-9-7-16(8-10-19)18-12-26-22(24)27-13-18/h5-14H,1-4H3,(H2,24,26,27).
What are the key properties of 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 400.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-methyl-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56838240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).