N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H11F3N4O — CID 71996239

IUPACN-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1ncccn1
InChIInChI=1S/C9H11F3N4O/c1-16(6-9(10,11)12)7(17)5-15-8-13-3-2-4-14-8/h2-4H,5-6H2,1H3,(H,13,14,15)
InChIKeyBGPHCDMANHZAEV-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.91
Rot. Bonds4

About N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71996239) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71996239
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1ncccn1
InChIInChI=1S/C9H11F3N4O/c1-16(6-9(10,11)12)7(17)5-15-8-13-3-2-4-14-8/h2-4H,5-6H2,1H3,(H,13,14,15)
InChIKeyBGPHCDMANHZAEV-UHFFFAOYSA-N
XLogP0.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 71996239) is N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CNc1ncccn1.
What is the InChIKey of N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BGPHCDMANHZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-16(6-9(10,11)12)7(17)5-15-8-13-3-2-4-14-8/h2-4H,5-6H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 248.21 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71996239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).