2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide

C25H26N6O2 — CID 122288135

IUPAC2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)Cn3ccc4ccccc43)cc2)n1
InChIInChI=1S/C25H26N6O2/c1-18-16-23(30-12-14-33-15-13-30)29-25(26-18)28-21-8-6-20(7-9-21)27-24(32)17-31-11-10-19-4-2-3-5-22(19)31/h2-11,16H,12-15,17H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyXVJAUQPFILHTLU-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.96
Rot. Bonds6

About 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 122288135) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID122288135
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)Cn3ccc4ccccc43)cc2)n1
InChIInChI=1S/C25H26N6O2/c1-18-16-23(30-12-14-33-15-13-30)29-25(26-18)28-21-8-6-20(7-9-21)27-24(32)17-31-11-10-19-4-2-3-5-22(19)31/h2-11,16H,12-15,17H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyXVJAUQPFILHTLU-UHFFFAOYSA-N
XLogP3.96
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122288068
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 122288154
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097
3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 18566688
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122288208
2-indol-1-yl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353777
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122288067
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287923
3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27655731
3,4-dimethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 44826867
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122297365
methyl 3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112912186

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 122288135) is 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide is Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)Cn3ccc4ccccc43)cc2)n1.
What is the InChIKey of 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is XVJAUQPFILHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-18-16-23(30-12-14-33-15-13-30)29-25(26-18)28-21-8-6-20(7-9-21)27-24(32)17-31-11-10-19-4-2-3-5-22(19)31/h2-11,16H,12-15,17H2,1H3,(H,27,32)(H,26,28,29).
What are the key properties of 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122288135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).