2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C10H10F3N5O — CID 162576210

IUPAC2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESNc1nc2c(c(N3CC(C(F)(F)F)C3)n1)C(=O)NC2
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)4-2-18(3-4)7-6-5(1-15-8(6)19)16-9(14)17-7/h4H,1-3H2,(H,15,19)(H2,14,16,17)
InChIKeyQTSOAFDCLKRVLB-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.30
Rot. Bonds1

About 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 162576210) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID162576210
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESNc1nc2c(c(N3CC(C(F)(F)F)C3)n1)C(=O)NC2
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)4-2-18(3-4)7-6-5(1-15-8(6)19)16-9(14)17-7/h4H,1-3H2,(H,15,19)(H2,14,16,17)
InChIKeyQTSOAFDCLKRVLB-UHFFFAOYSA-N
XLogP0.30
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 162576210) is 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is Nc1nc2c(c(N3CC(C(F)(F)F)C3)n1)C(=O)NC2.
What is the InChIKey of 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is QTSOAFDCLKRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)4-2-18(3-4)7-6-5(1-15-8(6)19)16-9(14)17-7/h4H,1-3H2,(H,15,19)(H2,14,16,17).
What are the key properties of 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 273.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(trifluoromethyl)azetidin-1-yl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 162576210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).