[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone

C23H24N4O2 — CID 96556883

IUPAC[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCc1cc(C)nc(Nc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2)n1
InChIInChI=1S/C23H24N4O2/c1-16-14-17(2)25-23(24-16)26-20-10-8-19(9-11-20)22(28)27-12-13-29-21(15-27)18-6-4-3-5-7-18/h3-11,14,21H,12-13,15H2,1-2H3,(H,24,25,26)/t21-/m1/s1
InChIKeyTVQKKQQXPFEPDF-OAQYLSRUSA-N
MW388.47 g/mol
LogP4.05
Rot. Bonds4

About [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone

[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 96556883) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID96556883
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCc1cc(C)nc(Nc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2)n1
InChIInChI=1S/C23H24N4O2/c1-16-14-17(2)25-23(24-16)26-20-10-8-19(9-11-20)22(28)27-12-13-29-21(15-27)18-6-4-3-5-7-18/h3-11,14,21H,12-13,15H2,1-2H3,(H,24,25,26)/t21-/m1/s1
InChIKeyTVQKKQQXPFEPDF-OAQYLSRUSA-N
XLogP4.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
(1-methylindol-6-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51972804
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 52996803
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 35270139
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909

Frequently Asked Questions

What is the IUPAC name of [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 96556883) is [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone is Cc1cc(C)nc(Nc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2)n1.
What is the InChIKey of [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is TVQKKQQXPFEPDF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-14-17(2)25-23(24-16)26-20-10-8-19(9-11-20)22(28)27-12-13-29-21(15-27)18-6-4-3-5-7-18/h3-11,14,21H,12-13,15H2,1-2H3,(H,24,25,26)/t21-/m1/s1.
What are the key properties of [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone?
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 96556883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).