OLIBUPMSCHFVHK-UHFFFAOYSA-N

Name: OLIBUPMSCHFVHK-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₄F₃N₃ — CID 70937969

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine

SMILESCC(C)(C)N1Cc2cnc(C(F)(F)F)nc2C1

InChIInChI=1S/C11H14F3N3/c1-10(2,3)17-5-7-4-15-9(11(12,13)14)16-8(7)6-17/h4H,5-6H2,1-3H3

InChIKeyOLIBUPMSCHFVHK-UHFFFAOYSA-N

MW245.25 g/mol

LogP2.61

Rot. Bonds

About OLIBUPMSCHFVHK-UHFFFAOYSA-N

OLIBUPMSCHFVHK-UHFFFAOYSA-N (PubChem CID 70937969) has the molecular formula C₁₁H₁₄F₃N₃ and a molecular weight of 245.25 g/mol. Its IUPAC name is 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name	OLIBUPMSCHFVHK-UHFFFAOYSA-N
PubChem CID	70937969
Molecular Formula	C₁₁H₁₄F₃N₃
Molecular Weight	245.25 g/mol
Exact Mass	245.11
IUPAC Name	6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILES	CC(C)(C)N1Cc2cnc(C(F)(F)F)nc2C1
InChI	InChI=1S/C11H14F3N3/c1-10(2,3)17-5-7-4-15-9(11(12,13)14)16-8(7)6-17/h4H,5-6H2,1-3H3
InChIKey	OLIBUPMSCHFVHK-UHFFFAOYSA-N
XLogP	2.61
TPSA	29.02 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.25
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of OLIBUPMSCHFVHK-UHFFFAOYSA-N?

The IUPAC name of OLIBUPMSCHFVHK-UHFFFAOYSA-N (CID 70937969) is 6-tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

What is the SMILES notation for OLIBUPMSCHFVHK-UHFFFAOYSA-N?

The canonical SMILES for OLIBUPMSCHFVHK-UHFFFAOYSA-N is CC(C)(C)N1Cc2cnc(C(F)(F)F)nc2C1.

What is the InChIKey of OLIBUPMSCHFVHK-UHFFFAOYSA-N?

The InChIKey is OLIBUPMSCHFVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-10(2,3)17-5-7-4-15-9(11(12,13)14)16-8(7)6-17/h4H,5-6H2,1-3H3.

What are the key properties of OLIBUPMSCHFVHK-UHFFFAOYSA-N?

OLIBUPMSCHFVHK-UHFFFAOYSA-N has a molecular weight of 245.25 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for OLIBUPMSCHFVHK-UHFFFAOYSA-N is sourced from PubChem (CID 70937969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 70937969 — identifiers, structure, computed properties (public domain)

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