7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C23H25F3N4O3 — CID 159917292

IUPAC7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(Nc2nc(C)c3c(n2)N(Cc2ccco2)CC3)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N4O.C2HF3O2/c1-13-10-14(2)19(15(3)11-13)23-21-22-16(4)18-7-8-25(20(18)24-21)12-17-6-5-9-26-17;3-2(4,5)1(6)7/h5-6,9-11H,7-8,12H2,1-4H3,(H,22,23,24);(H,6,7)
InChIKeyAQALSZWSUHSNKR-UHFFFAOYSA-N
MW462.47 g/mol
LogP5.24
Rot. Bonds4

About 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 159917292) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID159917292
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(Nc2nc(C)c3c(n2)N(Cc2ccco2)CC3)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N4O.C2HF3O2/c1-13-10-14(2)19(15(3)11-13)23-21-22-16(4)18-7-8-25(20(18)24-21)12-17-6-5-9-26-17;3-2(4,5)1(6)7/h5-6,9-11H,7-8,12H2,1-4H3,(H,22,23,24);(H,6,7)
InChIKeyAQALSZWSUHSNKR-UHFFFAOYSA-N
XLogP5.24
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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6-fluoro-4-N-(furan-2-ylmethyl)-2-N-pentylquinazoline-2,4-diamine
CID 53318281
6-(2-methylfuran-3-yl)-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 56643211
2-N,4-N-bis(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 6486745
6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233378
[(2S,6R)-6-[6-(furan-2-ylmethylamino)purin-9-yl]-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl acetate
CID 49778653
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CID 53320942
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
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2-N-butyl-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 53323624
2-N-butyl-6-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 53324907
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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 159917292) is 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is Cc1cc(C)c(Nc2nc(C)c3c(n2)N(Cc2ccco2)CC3)c(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AQALSZWSUHSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.C2HF3O2/c1-13-10-14(2)19(15(3)11-13)23-21-22-16(4)18-7-8-25(20(18)24-21)12-17-6-5-9-26-17;3-2(4,5)1(6)7/h5-6,9-11H,7-8,12H2,1-4H3,(H,22,23,24);(H,6,7).
What are the key properties of 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 462.47 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-4-methyl-N-(2,4,6-trimethylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159917292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).