4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

C16H13F3N4O2 — CID 171687141

IUPAC4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2ccc3ncccc3c2)nc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H12N4.C2HF3O2/c1-9-7-13(18-14(15)17-9)11-4-5-12-10(8-11)3-2-6-16-12;3-2(4,5)1(6)7/h2-8H,1H3,(H2,15,17,18);(H,6,7)
InChIKeyLPOPCCQXRABJFZ-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.22
Rot. Bonds1

About 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 171687141) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID171687141
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2ccc3ncccc3c2)nc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H12N4.C2HF3O2/c1-9-7-13(18-14(15)17-9)11-4-5-12-10(8-11)3-2-6-16-12;3-2(4,5)1(6)7/h2-8H,1H3,(H2,15,17,18);(H,6,7)
InChIKeyLPOPCCQXRABJFZ-UHFFFAOYSA-N
XLogP3.22
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563437
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
4-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 71225444
2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
CID 66040593
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline
CID 102716462
ethane;quinoline-6-carboxylic acid
CID 91364452
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
5-fluoro-2-quinolin-6-ylbenzoic acid
CID 81224039
2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040
6-quinolin-6-ylpyrazin-2-amine
CID 81222208
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 171687141) is 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is Cc1cc(-c2ccc3ncccc3c2)nc(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LPOPCCQXRABJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4.C2HF3O2/c1-9-7-13(18-14(15)17-9)11-4-5-12-10(8-11)3-2-6-16-12;3-2(4,5)1(6)7/h2-8H,1H3,(H2,15,17,18);(H,6,7).
What are the key properties of 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 350.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171687141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).