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

C8H6F3N3 — CID 118900359

IUPAC4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C8H6F3N3/c1-4-5-2-6(8(9,10)11)14-7(5)13-3-12-4/h2-3H,1H3,(H,12,13,14)
InChIKeyFRADHTNFZAGZKP-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.29
Rot. Bonds

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

4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118900359) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118900359
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C8H6F3N3/c1-4-5-2-6(8(9,10)11)14-7(5)13-3-12-4/h2-3H,1H3,(H,12,13,14)
InChIKeyFRADHTNFZAGZKP-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 118900359) is 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1ncnc2[nH]c(C(F)(F)F)cc12.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FRADHTNFZAGZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c1-4-5-2-6(8(9,10)11)14-7(5)13-3-12-4/h2-3H,1H3,(H,12,13,14).
What are the key properties of 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 201.15 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118900359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).