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

C22H22N6O — CID 56952664

IUPAC5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C22H22N6O/c1-14(2)22(3,20-27-19(29-28-20)15-7-5-4-6-8-15)17-9-10-18(24-13-17)16-11-25-21(23)26-12-16/h4-14H,1-3H3,(H2,23,25,26)
InChIKeyULKIRZYNVOLZHJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.13
Rot. Bonds5

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

5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56952664) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56952664
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C22H22N6O/c1-14(2)22(3,20-27-19(29-28-20)15-7-5-4-6-8-15)17-9-10-18(24-13-17)16-11-25-21(23)26-12-16/h4-14H,1-3H3,(H2,23,25,26)
InChIKeyULKIRZYNVOLZHJ-UHFFFAOYSA-N
XLogP4.13
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-[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
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
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
5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 56837379
2-[4-[3-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 66828508
2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 56952765
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-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine
CID 56952561
5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 136610493

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 56952664) is 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccccc2)n1.
What is the InChIKey of 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ULKIRZYNVOLZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14(2)22(3,20-27-19(29-28-20)15-7-5-4-6-8-15)17-9-10-18(24-13-17)16-11-25-21(23)26-12-16/h4-14H,1-3H3,(H2,23,25,26).
What are the key properties of 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56952664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).