6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine

C12H10F3N5 — CID 110430499

IUPAC6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(-n3ccnc3C)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C12H10F3N5/c1-6-5-8-9(17-6)18-11(12(13,14)15)19-10(8)20-4-3-16-7(20)2/h3-5H,1-2H3,(H,17,18,19)
InChIKeyAZBGJORQRBGAMA-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.78
Rot. Bonds1

About 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine

6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 110430499) has the molecular formula C12H10F3N5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID110430499
Molecular FormulaC12H10F3N5
Molecular Weight281.24 g/mol
Exact Mass281.09
IUPAC Name6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(-n3ccnc3C)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C12H10F3N5/c1-6-5-8-9(17-6)18-11(12(13,14)15)19-10(8)20-4-3-16-7(20)2/h3-5H,1-2H3,(H,17,18,19)
InChIKeyAZBGJORQRBGAMA-UHFFFAOYSA-N
XLogP2.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 110430499) is 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1cc2c(-n3ccnc3C)nc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AZBGJORQRBGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5/c1-6-5-8-9(17-6)18-11(12(13,14)15)19-10(8)20-4-3-16-7(20)2/h3-5H,1-2H3,(H,17,18,19).
What are the key properties of 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 281.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110430499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).