N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide

C19H22F3N5O3 — CID 122294170

IUPACN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2OC(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C19H22F3N5O3/c1-13-25-16(12-17(26-13)27-8-10-29-11-9-27)23-6-7-24-18(28)14-4-2-3-5-15(14)30-19(20,21)22/h2-5,12H,6-11H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyJMFBDGQNEAGPII-UHFFFAOYSA-N
MW425.41 g/mol
LogP2.36
Rot. Bonds7

About N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide (PubChem CID 122294170) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
PubChem CID122294170
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2OC(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C19H22F3N5O3/c1-13-25-16(12-17(26-13)27-8-10-29-11-9-27)23-6-7-24-18(28)14-4-2-3-5-15(14)30-19(20,21)22/h2-5,12H,6-11H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyJMFBDGQNEAGPII-UHFFFAOYSA-N
XLogP2.36
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 50946507
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 50945106
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700339
3-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700196
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
CID 122294939
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
2-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122294106
4-acetyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122294236
1-(2-fluorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50945805
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide (CID 122294170) is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide is Cc1nc(NCCNC(=O)c2ccccc2OC(F)(F)F)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is JMFBDGQNEAGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3/c1-13-25-16(12-17(26-13)27-8-10-29-11-9-27)23-6-7-24-18(28)14-4-2-3-5-15(14)30-19(20,21)22/h2-5,12H,6-11H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide?
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 425.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122294170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).