2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H12F3N3O2 — CID 79798449

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1cc(C)nc(NC(C)(C(=O)O)C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-4-6(2)15-8(14-5)16-9(3,7(17)18)10(11,12)13/h4H,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyFQAGRORWZQKPLQ-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.91
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798449) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798449
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1cc(C)nc(NC(C)(C(=O)O)C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-4-6(2)15-8(14-5)16-9(3,7(17)18)10(11,12)13/h4H,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyFQAGRORWZQKPLQ-UHFFFAOYSA-N
XLogP1.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4,6-Dimethylpyrimidin-2-yl)amino)-2-methylpropanoic acid
CID 741704
3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoic Acid
CID 735547
2-Amino-4,6-dimethylpyrimidinium trifluoroacetate
CID 67513464
N-(4,6-dimethylpyrimidin-2-yl)-N-methylglycine
CID 312675
4-[(4,6-Dimethylpyrimidin-2-yl)amino]butanoic acid
CID 1617677
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-methyl-butyric acid
CID 3276679
Glycine, N-(4,6-dimethyl-2-pyrimidinyl)-
CID 312674
4,6-Dimethyl-2-[(propionyloxy)amino]pyrimidine
CID 6456063
4,6-Dimethylpyrimidine-2-carboxylic acid
CID 12276693
N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 24827743
[[4,6-Bis(trifluoromethyl)pyrimidin-2-yl]amino] acetate
CID 102251244
4,6-Dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 22594992

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798449) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is Cc1cc(C)nc(NC(C)(C(=O)O)C(F)(F)F)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is FQAGRORWZQKPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-4-6(2)15-8(14-5)16-9(3,7(17)18)10(11,12)13/h4H,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 263.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).