5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C20H21N7O — CID 136610493

IUPAC5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1cc(-c2cn[nH]c2)on1
InChIInChI=1S/C20H21N7O/c1-12(2)20(3,18-6-17(28-27-18)14-9-25-26-10-14)15-4-5-16(22-11-15)13-7-23-19(21)24-8-13/h4-12H,1-3H3,(H,25,26)(H2,21,23,24)/t20-/m0/s1
InChIKeyNYXJPSAMTFOJNE-FQEVSTJZSA-N
MW375.44 g/mol
LogP3.46
Rot. Bonds5

About 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 136610493) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID136610493
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1cc(-c2cn[nH]c2)on1
InChIInChI=1S/C20H21N7O/c1-12(2)20(3,18-6-17(28-27-18)14-9-25-26-10-14)15-4-5-16(22-11-15)13-7-23-19(21)24-8-13/h4-12H,1-3H3,(H,25,26)(H2,21,23,24)/t20-/m0/s1
InChIKeyNYXJPSAMTFOJNE-FQEVSTJZSA-N
XLogP3.46
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[5-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 56952664
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)-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-[(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
3-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]-1H-pyridazine-6-thione
CID 70866625
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-[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-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 66774748

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 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) is 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1cc(-c2cn[nH]c2)on1.
What is the InChIKey of 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is NYXJPSAMTFOJNE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12(2)20(3,18-6-17(28-27-18)14-9-25-26-10-14)15-4-5-16(22-11-15)13-7-23-19(21)24-8-13/h4-12H,1-3H3,(H,25,26)(H2,21,23,24)/t20-/m0/s1.
What are the key properties of 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 375.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-3-methyl-2-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 136610493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).