4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate

C8H10F3N3O2 — CID 67513464

IUPAC4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate
SMILESCc1cc(C)[nH+]c(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
LogP-0.61
Rot. Bonds

About 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate

4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate (PubChem CID 67513464) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate
PubChem CID67513464
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate
SMILESCc1cc(C)[nH+]c(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
XLogP-0.61
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
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-(Ethylamino)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 3704748
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
4,6-Dimethyl-2-[(propionyloxy)amino]pyrimidine
CID 6456063
2-Amino-4,6-dimethylpyrimidin-1-ium chloride
CID 139084860
N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 24827743
[[4,6-Bis(trifluoromethyl)pyrimidin-2-yl]amino] acetate
CID 102251244
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136901620
4,6-Dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 22594992
N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 67309096
(2-Amino-4,6-dimethylpyrimidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 89886095

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate?
The IUPAC name of 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate (CID 67513464) is 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate.
What is the SMILES notation for 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate?
The canonical SMILES for 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate is Cc1cc(C)[nH+]c(N)n1.O=C([O-])C(F)(F)F.
What is the InChIKey of 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate?
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-1-ium-2-amine;2,2,2-trifluoroacetate?
4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate has a molecular weight of 237.18 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrimidin-1-ium-2-amine;2,2,2-trifluoroacetate is sourced from PubChem (CID 67513464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).