7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine

C15H14F3N3 — CID 141376857

IUPAC7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2ccccc2)c2c1=NCN(CC(F)(F)F)C=2
InChIInChI=1S/C15H14F3N3/c1-20-7-12(11-5-3-2-4-6-11)13-8-21(9-15(16,17)18)10-19-14(13)20/h2-8H,9-10H2,1H3
InChIKeyUBTTXVJKKTYSRC-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.89
Rot. Bonds2

About 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine

7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141376857) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine
PubChem CID141376857
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2ccccc2)c2c1=NCN(CC(F)(F)F)C=2
InChIInChI=1S/C15H14F3N3/c1-20-7-12(11-5-3-2-4-6-11)13-8-21(9-15(16,17)18)10-19-14(13)20/h2-8H,9-10H2,1H3
InChIKeyUBTTXVJKKTYSRC-UHFFFAOYSA-N
XLogP1.89
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ctk2F9789
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4-(4-fluoro-2-methylphenyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 68041412
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N-ethenyl-3-(2-fluoro-3-methylphenyl)-1,4-dimethylpyridin-2-imine
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6-bromo-7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine
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5-(3-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[3,4-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine (CID 141376857) is 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine is Cn1cc(-c2ccccc2)c2c1=NCN(CC(F)(F)F)C=2.
What is the InChIKey of 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is UBTTXVJKKTYSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-20-7-12(11-5-3-2-4-6-11)13-8-21(9-15(16,17)18)10-19-14(13)20/h2-8H,9-10H2,1H3.
What are the key properties of 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine?
7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 293.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)-2H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141376857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).