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

C8H9F2N3O2 — CID 171808742

IUPAC4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc2c(c(OC(F)F)n1)CNC2
InChIInChI=1S/C8H9F2N3O2/c1-14-8-12-5-3-11-2-4(5)6(13-8)15-7(9)10/h7,11H,2-3H2,1H3
InChIKeyZBIDAQBIWMCWPH-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.69
Rot. Bonds3

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

4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 171808742) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.17 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID171808742
Molecular FormulaC8H9F2N3O2
Molecular Weight217.17 g/mol
Exact Mass217.07
IUPAC Name4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc2c(c(OC(F)F)n1)CNC2
InChIInChI=1S/C8H9F2N3O2/c1-14-8-12-5-3-11-2-4(5)6(13-8)15-7(9)10/h7,11H,2-3H2,1H3
InChIKeyZBIDAQBIWMCWPH-UHFFFAOYSA-N
XLogP0.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[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

Related Compounds

4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115031086
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
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-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
CID 83919695
5-(Aminomethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 105478804
[2,4-Dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 105498746

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 171808742) is 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1nc2c(c(OC(F)F)n1)CNC2.
What is the InChIKey of 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is ZBIDAQBIWMCWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-14-8-12-5-3-11-2-4(5)6(13-8)15-7(9)10/h7,11H,2-3H2,1H3.
What are the key properties of 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 217.17 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 171808742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).