(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one

C20H24N6O2 — CID 96542349

IUPAC(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
SMILESCC(C)[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)N1CCOCC1
InChIInChI=1S/C20H24N6O2/c1-14(2)18(19(27)25-8-10-28-11-9-25)24-17-12-16(15-6-4-3-5-7-15)23-20-21-13-22-26(17)20/h3-7,12-14,18,24H,8-11H2,1-2H3/t18-/m0/s1
InChIKeyMGQYLYNLWVFIFZ-SFHVURJKSA-N
MW380.45 g/mol
LogP2.09
Rot. Bonds5

About (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one

(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one (PubChem CID 96542349) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one.

Molecular Properties

Compound Name(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
PubChem CID96542349
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
SMILESCC(C)[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)N1CCOCC1
InChIInChI=1S/C20H24N6O2/c1-14(2)18(19(27)25-8-10-28-11-9-25)24-17-12-16(15-6-4-3-5-7-15)23-20-21-13-22-26(17)20/h3-7,12-14,18,24H,8-11H2,1-2H3/t18-/m0/s1
InChIKeyMGQYLYNLWVFIFZ-SFHVURJKSA-N
XLogP2.09
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one?
The IUPAC name of (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one (CID 96542349) is (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one.
What is the SMILES notation for (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one?
The canonical SMILES for (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one is CC(C)[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one?
The InChIKey is MGQYLYNLWVFIFZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14(2)18(19(27)25-8-10-28-11-9-25)24-17-12-16(15-6-4-3-5-7-15)23-20-21-13-22-26(17)20/h3-7,12-14,18,24H,8-11H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one?
(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one has a molecular weight of 380.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one is sourced from PubChem (CID 96542349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).