2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H13F3N4 — CID 114739909

IUPAC2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1cccnc1-c1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C14H13F3N4/c1-2-8-4-3-5-19-11(8)13-20-10-7-18-6-9(10)12(21-13)14(15,16)17/h3-5,18H,2,6-7H2,1H3
InChIKeyLICRZLYFWDJOFV-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.72
Rot. Bonds2

About 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739909) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739909
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1cccnc1-c1nc2c(c(C(F)(F)F)n1)CNC2
InChIInChI=1S/C14H13F3N4/c1-2-8-4-3-5-19-11(8)13-20-10-7-18-6-9(10)12(21-13)14(15,16)17/h3-5,18H,2,6-7H2,1H3
InChIKeyLICRZLYFWDJOFV-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739909) is 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1cccnc1-c1nc2c(c(C(F)(F)F)n1)CNC2.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is LICRZLYFWDJOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c1-2-8-4-3-5-19-11(8)13-20-10-7-18-6-9(10)12(21-13)14(15,16)17/h3-5,18H,2,6-7H2,1H3.
What are the key properties of 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 294.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).