[(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

C25H24N6O2 — CID 118117354

IUPAC[(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
InChIInChI=1S/C25H24N6O2/c1-18-7-8-19(16-22(18)24-26-9-4-10-27-24)15-20-17-33-14-13-30(20)25(32)21-5-2-3-6-23(21)31-28-11-12-29-31/h2-12,16,20H,13-15,17H2,1H3/t20-/m1/s1
InChIKeyRDSLXYSTWOTMMZ-HXUWFJFHSA-N
MW440.51 g/mol
LogP3.12
Rot. Bonds5

About [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

[(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 118117354) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID118117354
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
InChIInChI=1S/C25H24N6O2/c1-18-7-8-19(16-22(18)24-26-9-4-10-27-24)15-20-17-33-14-13-30(20)25(32)21-5-2-3-6-23(21)31-28-11-12-29-31/h2-12,16,20H,13-15,17H2,1H3/t20-/m1/s1
InChIKeyRDSLXYSTWOTMMZ-HXUWFJFHSA-N
XLogP3.12
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566431
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566516
[4-chloro-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]methanone
CID 89560239
(-)-[2-{[3-(4-Fluorophenyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl][5-methyl-2-(pyrimidin-2-yl)phenyl]methanone
CID 118020586
[(2R,5R)-2-methyl-5-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118117572
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 156018610
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565729
[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71565793
[(R)-3-(4-methoxy-3-pyrimidin-2-yl-benzyl)-morpholin-4-yl]-(2-[1,2,3]triazol-2-yl-phenyl)-methanone
CID 71565871
[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565953
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone
CID 71566032
[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566033

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 118117354) is [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1.
What is the InChIKey of [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is RDSLXYSTWOTMMZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-7-8-19(16-22(18)24-26-9-4-10-27-24)15-20-17-33-14-13-30(20)25(32)21-5-2-3-6-23(21)31-28-11-12-29-31/h2-12,16,20H,13-15,17H2,1H3/t20-/m1/s1.
What are the key properties of [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 440.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-methyl-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118117354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).