N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

C17H21N5O2 — CID 117080779

IUPACN-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCOCC3)ncc2C)cc1
InChIInChI=1S/C17H21N5O2/c1-12-11-18-17(22-7-9-24-10-8-22)21-16(12)20-15-5-3-14(4-6-15)19-13(2)23/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyAGGVOXZRRQMMAG-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.32
Rot. Bonds4

About N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 117080779) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID117080779
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCOCC3)ncc2C)cc1
InChIInChI=1S/C17H21N5O2/c1-12-11-18-17(22-7-9-24-10-8-22)21-16(12)20-15-5-3-14(4-6-15)19-13(2)23/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyAGGVOXZRRQMMAG-UHFFFAOYSA-N
XLogP2.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117082534
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081943
N-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 117083810
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
N-[4-[[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]phenyl]acetamide
CID 117086112
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 10029643
1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 155957576
4-[4-(4-acetamidoanilino)-5-methylpyrimidin-2-yl]benzamide
CID 117086677
N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide
CID 71084700

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 117080779) is N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(N3CCOCC3)ncc2C)cc1.
What is the InChIKey of N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is AGGVOXZRRQMMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-11-18-17(22-7-9-24-10-8-22)21-16(12)20-15-5-3-14(4-6-15)19-13(2)23/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 117080779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).