4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol

C11H12N6O2 — CID 72702120

IUPAC4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol
SMILESCNc1nc(N)nc(Nc2ccc(O)cc2)c1N=O
InChIInChI=1S/C11H12N6O2/c1-13-9-8(17-19)10(16-11(12)15-9)14-6-2-4-7(18)5-3-6/h2-5,18H,1H3,(H4,12,13,14,15,16)
InChIKeyFGUQODCTNRJEBT-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.95
Rot. Bonds4

About 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol

4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol (PubChem CID 72702120) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol
PubChem CID72702120
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol
SMILESCNc1nc(N)nc(Nc2ccc(O)cc2)c1N=O
InChIInChI=1S/C11H12N6O2/c1-13-9-8(17-19)10(16-11(12)15-9)14-6-2-4-7(18)5-3-6/h2-5,18H,1H3,(H4,12,13,14,15,16)
InChIKeyFGUQODCTNRJEBT-UHFFFAOYSA-N
XLogP1.95
TPSA125.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol?
The IUPAC name of 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol (CID 72702120) is 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol?
The canonical SMILES for 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol is CNc1nc(N)nc(Nc2ccc(O)cc2)c1N=O.
What is the InChIKey of 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol?
The InChIKey is FGUQODCTNRJEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-13-9-8(17-19)10(16-11(12)15-9)14-6-2-4-7(18)5-3-6/h2-5,18H,1H3,(H4,12,13,14,15,16).
What are the key properties of 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol?
4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol has a molecular weight of 260.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 72702120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).