N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide

C9H11F3N4O — CID 31536708

IUPACN-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-13-7(17)5-16(2)8-14-4-3-6(15-8)9(10,11)12/h3-4H,5H2,1-2H3,(H,13,17)
InChIKeyFQWRXDGGZPSVQM-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.68
Rot. Bonds3

About N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide

N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (PubChem CID 31536708) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
PubChem CID31536708
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-13-7(17)5-16(2)8-14-4-3-6(15-8)9(10,11)12/h3-4H,5H2,1-2H3,(H,13,17)
InChIKeyFQWRXDGGZPSVQM-UHFFFAOYSA-N
XLogP0.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 2782067
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine dihydrochloride
CID 138040796
2-[2-Oxo-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]ethyl]sulfanylacetic acid
CID 2795920
N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
CID 2796053
1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158504
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491854
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
3-ethoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 72006787
N~1~-{rel-(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-pyrrolidinyl}glycinamide hydrochloride
CID 72856353

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (CID 31536708) is N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is CNC(=O)CN(C)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The InChIKey is FQWRXDGGZPSVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-13-7(17)5-16(2)8-14-4-3-6(15-8)9(10,11)12/h3-4H,5H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide has a molecular weight of 248.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 31536708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).