2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C7H6F3N3 — CID 82404834

IUPAC2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)NCC2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-12-3-4-1-2-11-5(4)13-6/h3H,1-2H2,(H,11,12,13)
InChIKeyHRLWTZOUMFWDIH-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.46
Rot. Bonds

About 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 82404834) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID82404834
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)NCC2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-12-3-4-1-2-11-5(4)13-6/h3H,1-2H2,(H,11,12,13)
InChIKeyHRLWTZOUMFWDIH-UHFFFAOYSA-N
XLogP1.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 82404834) is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is FC(F)(F)c1ncc2c(n1)NCC2.
What is the InChIKey of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is HRLWTZOUMFWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)6-12-3-4-1-2-11-5(4)13-6/h3H,1-2H2,(H,11,12,13).
What are the key properties of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 189.14 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 82404834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).