3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide

C24H26ClN5O2 — CID 122297405

IUPAC3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
SMILESCc1nc(Nc2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C24H26ClN5O2/c1-17-26-22(16-23(27-17)30-11-13-32-14-12-30)28-20-6-8-21(9-7-20)29-24(31)10-5-18-3-2-4-19(25)15-18/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyOOMZSLBGRSYAFE-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.59
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide

3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide (PubChem CID 122297405) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
PubChem CID122297405
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
SMILESCc1nc(Nc2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C24H26ClN5O2/c1-17-26-22(16-23(27-17)30-11-13-32-14-12-30)28-20-6-8-21(9-7-20)29-24(31)10-5-18-3-2-4-19(25)15-18/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyOOMZSLBGRSYAFE-UHFFFAOYSA-N
XLogP4.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
3-(3-chlorophenyl)-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122348742
3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297331
2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297275
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122297382
2-(2-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297387
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122297365
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122297288
3-(3-chloro-4-fluorophenyl)-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122294239
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide (CID 122297405) is 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide is Cc1nc(Nc2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The InChIKey is OOMZSLBGRSYAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-17-26-22(16-23(27-17)30-11-13-32-14-12-30)28-20-6-8-21(9-7-20)29-24(31)10-5-18-3-2-4-19(25)15-18/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,29,31)(H,26,27,28).
What are the key properties of 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide?
3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide has a molecular weight of 451.96 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 122297405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).