N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide

C14H13F3N4O2 — CID 122297980

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)c1ncc(NC(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H13F3N4O2/c1-21(2)13-18-7-10(8-19-13)20-12(22)9-3-5-11(6-4-9)23-14(15,16)17/h3-8H,1-2H3,(H,20,22)
InChIKeyQVDSCJZCHUVMHW-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide

N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 122297980) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
PubChem CID122297980
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)c1ncc(NC(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H13F3N4O2/c1-21(2)13-18-7-10(8-19-13)20-12(22)9-3-5-11(6-4-9)23-14(15,16)17/h3-8H,1-2H3,(H,20,22)
InChIKeyQVDSCJZCHUVMHW-UHFFFAOYSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122299773
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
CID 122298622
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide (CID 122297980) is N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide is CN(C)c1ncc(NC(=O)c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is QVDSCJZCHUVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-21(2)13-18-7-10(8-19-13)20-12(22)9-3-5-11(6-4-9)23-14(15,16)17/h3-8H,1-2H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 326.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122297980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).