4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine

C9H11F3N4O — CID 83919695

IUPAC4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C9H11F3N4O/c1-17-7-5-2-16(4-9(10,11)12)3-6(5)14-8(13)15-7/h2-4H2,1H3,(H2,13,14,15)
InChIKeyOSTCNUXJBUWJLQ-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.95
Rot. Bonds2

About 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine

4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 83919695) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID83919695
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C9H11F3N4O/c1-17-7-5-2-16(4-9(10,11)12)3-6(5)14-8(13)15-7/h2-4H2,1H3,(H2,13,14,15)
InChIKeyOSTCNUXJBUWJLQ-UHFFFAOYSA-N
XLogP0.95
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine 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
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
5-[[5-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-2H-pyrimidin-1-yl]methyl]-4-methoxy-2,6-dimethylpyrimidine
CID 175703209
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
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-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (CID 83919695) is 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is COc1nc(N)nc2c1CN(CC(F)(F)F)C2.
What is the InChIKey of 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is OSTCNUXJBUWJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-17-7-5-2-16(4-9(10,11)12)3-6(5)14-8(13)15-7/h2-4H2,1H3,(H2,13,14,15).
What are the key properties of 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 248.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 83919695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).