N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C13H13FN4O — CID 117101524

IUPACN-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3ccccc3F)n1)CNC2
InChIInChI=1S/C13H13FN4O/c1-19-13-17-11-7-15-6-8(11)12(18-13)16-10-5-3-2-4-9(10)14/h2-5,15H,6-7H2,1H3,(H,16,17,18)
InChIKeyBHGFECJNRMCSQB-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.97
Rot. Bonds3

About N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 117101524) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID117101524
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nc2c(c(Nc3ccccc3F)n1)CNC2
InChIInChI=1S/C13H13FN4O/c1-19-13-17-11-7-15-6-8(11)12(18-13)16-10-5-3-2-4-9(10)14/h2-5,15H,6-7H2,1H3,(H,16,17,18)
InChIKeyBHGFECJNRMCSQB-UHFFFAOYSA-N
XLogP1.97
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 117101524) is N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COc1nc2c(c(Nc3ccccc3F)n1)CNC2.
What is the InChIKey of N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BHGFECJNRMCSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-19-13-17-11-7-15-6-8(11)12(18-13)16-10-5-3-2-4-9(10)14/h2-5,15H,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 260.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 117101524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).