4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

C8H10F3N3O2 — CID 22594992

IUPAC4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3.C2HF3O2/c1-4-3-5(2)9-6(7)8-4;3-2(4,5)1(6)7/h3H,1-2H3,(H2,7,8,9);(H,6,7)
InChIKeyZOUSAJFNQKNACN-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.31
Rot. Bonds

About 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 22594992) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID22594992
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)nc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9N3.C2HF3O2/c1-4-3-5(2)9-6(7)8-4;3-2(4,5)1(6)7/h3H,1-2H3,(H2,7,8,9);(H,6,7)
InChIKeyZOUSAJFNQKNACN-UHFFFAOYSA-N
XLogP1.31
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid
CID 41567
2-((4,6-Dimethylpyrimidin-2-yl)amino)-2-methylpropanoic acid
CID 741704
Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
CID 610353
3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoic Acid
CID 735547
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propionic acid
CID 2772428
2-(Ethylamino)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 3704748
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine
CID 135006141
2-Methoxy-4-methyl-6-(trifluoromethyl)pyrimidine
CID 12324821
N,N,4-trimethyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 14545358

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 22594992) is 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is Cc1cc(C)nc(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZOUSAJFNQKNACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C2HF3O2/c1-4-3-5(2)9-6(7)8-4;3-2(4,5)1(6)7/h3H,1-2H3,(H2,7,8,9);(H,6,7).
What are the key properties of 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 237.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22594992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).