N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide

C16H15F3N4O2 — CID 53164816

IUPACN-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)12-3-1-11(2-4-12)14(24)22-13-9-20-15(21-10-13)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,22,24)
InChIKeySIKACYHGOVLIMN-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.58
Rot. Bonds3

About N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide

N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 53164816) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID53164816
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)12-3-1-11(2-4-12)14(24)22-13-9-20-15(21-10-13)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,22,24)
InChIKeySIKACYHGOVLIMN-UHFFFAOYSA-N
XLogP2.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109254563
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (CID 53164816) is N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1cnc(N2CCOCC2)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is SIKACYHGOVLIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)12-3-1-11(2-4-12)14(24)22-13-9-20-15(21-10-13)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,22,24).
What are the key properties of N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 352.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 53164816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).