6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

C12H9F3N4 — CID 121160620

IUPAC6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccnc(N2Cc3cncnc3C2)c1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)9-1-2-17-11(3-9)19-5-8-4-16-7-18-10(8)6-19/h1-4,7H,5-6H2
InChIKeySSYPHYSSPJDDNZ-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.41
Rot. Bonds1

About 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 121160620) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID121160620
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ccnc(N2Cc3cncnc3C2)c1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)9-1-2-17-11(3-9)19-5-8-4-16-7-18-10(8)6-19/h1-4,7H,5-6H2
InChIKeySSYPHYSSPJDDNZ-UHFFFAOYSA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 121160620) is 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is FC(F)(F)c1ccnc(N2Cc3cncnc3C2)c1.
What is the InChIKey of 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is SSYPHYSSPJDDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)9-1-2-17-11(3-9)19-5-8-4-16-7-18-10(8)6-19/h1-4,7H,5-6H2.
What are the key properties of 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 266.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 121160620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).