N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide

C22H23BrN6O2 — CID 10029643

IUPACN-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc(Br)c(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C22H23BrN6O2/c1-15(30)25-16-6-8-17(9-7-16)26-22-24-14-18(23)21(28-22)27-19-4-2-3-5-20(19)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,25,30)(H2,24,26,27,28)
InChIKeyRJDAZFZYAUFPKE-UHFFFAOYSA-N
MW483.37 g/mol
LogP4.52
Rot. Bonds6

About N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 10029643) has the molecular formula C22H23BrN6O2 and a molecular weight of 483.37 g/mol. Its IUPAC name is N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID10029643
Molecular FormulaC22H23BrN6O2
Molecular Weight483.37 g/mol
Exact Mass482.11
IUPAC NameN-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc(Br)c(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C22H23BrN6O2/c1-15(30)25-16-6-8-17(9-7-16)26-22-24-14-18(23)21(28-22)27-19-4-2-3-5-20(19)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,25,30)(H2,24,26,27,28)
InChIKeyRJDAZFZYAUFPKE-UHFFFAOYSA-N
XLogP4.52
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[2-(1,3-benzodioxol-5-ylamino)-5-bromopyrimidin-4-yl]amino]phenyl]acetamide
CID 139503817
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
N-[4-[5-amino-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylphenyl]acetamide
CID 59491723
3-[[5-fluoro-2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-hydroxybenzamide
CID 175329947
N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 24997391
2-[[5-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 156831616
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 117077407
N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
CID 112988851
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 155527161
1-[3-[[4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905634
N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 117080779
N-[[2-[[5-iodo-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]carbamoyl]benzamide
CID 70880335

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 10029643) is N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncc(Br)c(Nc3ccccc3N3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is RJDAZFZYAUFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O2/c1-15(30)25-16-6-8-17(9-7-16)26-22-24-14-18(23)21(28-22)27-19-4-2-3-5-20(19)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,25,30)(H2,24,26,27,28).
What are the key properties of N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 483.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 10029643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).