2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol

C7H14N5O2P — CID 57189130

IUPAC2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol
SMILESCN(c1ccc(N)c(O)c1N)P(N)(N)=O
InChIInChI=1S/C7H14N5O2P/c1-12(15(10,11)14)5-3-2-4(8)7(13)6(5)9/h2-3,13H,8-9H2,1H3,(H4,10,11,14)
InChIKeyXIBYNWSYMQCTTG-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.02
Rot. Bonds2

About 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol

2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol (PubChem CID 57189130) has the molecular formula C7H14N5O2P and a molecular weight of 231.20 g/mol. Its IUPAC name is 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol.

Molecular Properties

Compound Name2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol
PubChem CID57189130
Molecular FormulaC7H14N5O2P
Molecular Weight231.20 g/mol
Exact Mass231.09
IUPAC Name2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol
SMILESCN(c1ccc(N)c(O)c1N)P(N)(N)=O
InChIInChI=1S/C7H14N5O2P/c1-12(15(10,11)14)5-3-2-4(8)7(13)6(5)9/h2-3,13H,8-9H2,1H3,(H4,10,11,14)
InChIKeyXIBYNWSYMQCTTG-UHFFFAOYSA-N
XLogP0.02
TPSA144.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol?
The IUPAC name of 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol (CID 57189130) is 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol.
What is the SMILES notation for 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol?
The canonical SMILES for 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol is CN(c1ccc(N)c(O)c1N)P(N)(N)=O.
What is the InChIKey of 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol?
The InChIKey is XIBYNWSYMQCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N5O2P/c1-12(15(10,11)14)5-3-2-4(8)7(13)6(5)9/h2-3,13H,8-9H2,1H3,(H4,10,11,14).
What are the key properties of 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol?
2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol has a molecular weight of 231.20 g/mol, XLogP of 0.02, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-3-[diaminophosphoryl(methyl)amino]phenol is sourced from PubChem (CID 57189130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).