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

C10H12ClF3N4O — CID 71996242

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(Cl)cc(NCC(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4O/c1-6-16-7(11)3-8(17-6)15-4-9(19)18(2)5-10(12,13)14/h3H,4-5H2,1-2H3,(H,15,16,17)
InChIKeyPMOMRVNCJQMDSR-UHFFFAOYSA-N
MW296.68 g/mol
LogP1.87
Rot. Bonds4

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

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71996242) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71996242
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(Cl)cc(NCC(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4O/c1-6-16-7(11)3-8(17-6)15-4-9(19)18(2)5-10(12,13)14/h3H,4-5H2,1-2H3,(H,15,16,17)
InChIKeyPMOMRVNCJQMDSR-UHFFFAOYSA-N
XLogP1.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71996242) is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(Cl)cc(NCC(=O)N(C)CC(F)(F)F)n1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PMOMRVNCJQMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-6-16-7(11)3-8(17-6)15-4-9(19)18(2)5-10(12,13)14/h3H,4-5H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.68 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71996242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).