2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide

C25H24N6O4 — CID 122288068

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C25H24N6O4/c1-16-14-21(30-10-12-35-13-11-30)29-25(26-16)28-18-8-6-17(7-9-18)27-22(32)15-31-23(33)19-4-2-3-5-20(19)24(31)34/h2-9,14H,10-13,15H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyDBTPQJXYGSANJJ-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.60
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 122288068) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID122288068
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C25H24N6O4/c1-16-14-21(30-10-12-35-13-11-30)29-25(26-16)28-18-8-6-17(7-9-18)27-22(32)15-31-23(33)19-4-2-3-5-20(19)24(31)34/h2-9,14H,10-13,15H2,1H3,(H,27,32)(H,26,28,29)
InChIKeyDBTPQJXYGSANJJ-UHFFFAOYSA-N
XLogP2.60
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122288135
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 122288154
3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 18566688
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122297382
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122288067
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122333532
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108765888
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122288208
3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27655731
2-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297706

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 122288068) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide is Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)n1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is DBTPQJXYGSANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-16-14-21(30-10-12-35-13-11-30)29-25(26-16)28-18-8-6-17(7-9-18)27-22(32)15-31-23(33)19-4-2-3-5-20(19)24(31)34/h2-9,14H,10-13,15H2,1H3,(H,27,32)(H,26,28,29).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 472.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122288068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).