N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide

C18H20F3N5O2 — CID 71807705

IUPACN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N5O2/c1-25(2)15-14(11-22-17(24-15)26-6-8-28-9-7-26)23-16(27)12-4-3-5-13(10-12)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,23,27)
InChIKeyYYLOONBFYWIABS-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.65
Rot. Bonds4

About N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide (PubChem CID 71807705) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide
PubChem CID71807705
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N5O2/c1-25(2)15-14(11-22-17(24-15)26-6-8-28-9-7-26)23-16(27)12-4-3-5-13(10-12)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,23,27)
InChIKeyYYLOONBFYWIABS-UHFFFAOYSA-N
XLogP2.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide (CID 71807705) is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide is CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is YYLOONBFYWIABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-25(2)15-14(11-22-17(24-15)26-6-8-28-9-7-26)23-16(27)12-4-3-5-13(10-12)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide?
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 395.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71807705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).