2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C9H11ClF3N5O — CID 71871012

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H11ClF3N5O/c1-18(4-9(11,12)13)7(19)3-15-6-2-5(10)16-8(14)17-6/h2H,3-4H2,1H3,(H3,14,15,16,17)
InChIKeyKNNUMCFEEPXQNL-UHFFFAOYSA-N
MW297.67 g/mol
LogP1.14
Rot. Bonds4

About 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71871012) has the molecular formula C9H11ClF3N5O and a molecular weight of 297.67 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71871012
Molecular FormulaC9H11ClF3N5O
Molecular Weight297.67 g/mol
Exact Mass297.06
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H11ClF3N5O/c1-18(4-9(11,12)13)7(19)3-15-6-2-5(10)16-8(14)17-6/h2H,3-4H2,1H3,(H3,14,15,16,17)
InChIKeyKNNUMCFEEPXQNL-UHFFFAOYSA-N
XLogP1.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71871012) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KNNUMCFEEPXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N5O/c1-18(4-9(11,12)13)7(19)3-15-6-2-5(10)16-8(14)17-6/h2H,3-4H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 297.67 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71871012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).