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

C18H19F3N4O3 — CID 122353733

IUPACN-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc(CNC(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H19F3N4O3/c1-12-10-14(24-17(23-12)25-6-8-27-9-7-25)11-22-16(26)13-2-4-15(5-3-13)28-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,22,26)
InChIKeyUEJAYQCDDQGOFK-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.45
Rot. Bonds5

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

N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 122353733) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID122353733
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC NameN-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc(CNC(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H19F3N4O3/c1-12-10-14(24-17(23-12)25-6-8-27-9-7-25)11-22-16(26)13-2-4-15(5-3-13)28-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,22,26)
InChIKeyUEJAYQCDDQGOFK-UHFFFAOYSA-N
XLogP2.45
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967481
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353652
2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 91967491
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
1-(4-tert-butylphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353897
5-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122353746
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
1-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]triazole-4-carboxamide
CID 122353728
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 122353733) is N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide is Cc1cc(CNC(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UEJAYQCDDQGOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-12-10-14(24-17(23-12)25-6-8-27-9-7-25)11-22-16(26)13-2-4-15(5-3-13)28-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,22,26).
What are the key properties of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 396.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122353733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).