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STPJJNCGKSGKJM-UHFFFAOYSA-N

C10H12F3N3 — CID 59487098

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-propan-2-yl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)N1Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H12F3N3/c1-6(2)16-4-7-3-14-9(10(11,12)13)15-8(7)5-16/h3,6H,4-5H2,1-2H3
InChIKeySTPJJNCGKSGKJM-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.22
Rot. Bonds1

About STPJJNCGKSGKJM-UHFFFAOYSA-N

STPJJNCGKSGKJM-UHFFFAOYSA-N (PubChem CID 59487098) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 6-propan-2-yl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound NameSTPJJNCGKSGKJM-UHFFFAOYSA-N
PubChem CID59487098
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name6-propan-2-yl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)N1Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C10H12F3N3/c1-6(2)16-4-7-3-14-9(10(11,12)13)15-8(7)5-16/h3,6H,4-5H2,1-2H3
InChIKeySTPJJNCGKSGKJM-UHFFFAOYSA-N
XLogP2.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of STPJJNCGKSGKJM-UHFFFAOYSA-N?
The IUPAC name of STPJJNCGKSGKJM-UHFFFAOYSA-N (CID 59487098) is 6-propan-2-yl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for STPJJNCGKSGKJM-UHFFFAOYSA-N?
The canonical SMILES for STPJJNCGKSGKJM-UHFFFAOYSA-N is CC(C)N1Cc2cnc(C(F)(F)F)nc2C1.
What is the InChIKey of STPJJNCGKSGKJM-UHFFFAOYSA-N?
The InChIKey is STPJJNCGKSGKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-6(2)16-4-7-3-14-9(10(11,12)13)15-8(7)5-16/h3,6H,4-5H2,1-2H3.
What are the key properties of STPJJNCGKSGKJM-UHFFFAOYSA-N?
STPJJNCGKSGKJM-UHFFFAOYSA-N has a molecular weight of 231.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for STPJJNCGKSGKJM-UHFFFAOYSA-N is sourced from PubChem (CID 59487098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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