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

C8H8F3N3O — CID 115031086

IUPAC4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(C(F)(F)F)nc2c1CNC2
InChIInChI=1S/C8H8F3N3O/c1-15-6-4-2-12-3-5(4)13-7(14-6)8(9,10)11/h12H,2-3H2,1H3
InChIKeyFNEPIPIOKVMDCA-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.11
Rot. Bonds1

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

4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 115031086) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID115031086
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(C(F)(F)F)nc2c1CNC2
InChIInChI=1S/C8H8F3N3O/c1-15-6-4-2-12-3-5(4)13-7(14-6)8(9,10)11/h12H,2-3H2,1H3
InChIKeyFNEPIPIOKVMDCA-UHFFFAOYSA-N
XLogP1.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
2,4-dimethoxy-5-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
CID 160399616
4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808732
4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 171808742
Tert-butyl 4-methoxy-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 171808773
Tert-butyl 4-(difluoromethoxy)-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 171808799
2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 172576527
4-methoxy-2-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 176067768
[4-Methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82392523
[4-Methoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82395787
4-Methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
CID 82666014

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 115031086) is 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1nc(C(F)(F)F)nc2c1CNC2.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is FNEPIPIOKVMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-15-6-4-2-12-3-5(4)13-7(14-6)8(9,10)11/h12H,2-3H2,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 219.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 115031086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).