4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol

C13H12N6O — CID 155563602

IUPAC4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol
SMILESNc1nc(N)c2nc(Nc3ccc(O)cc3)ccc2n1
InChIInChI=1S/C13H12N6O/c14-12-11-9(17-13(15)19-12)5-6-10(18-11)16-7-1-3-8(20)4-2-7/h1-6,20H,(H,16,18)(H4,14,15,17,19)
InChIKeyFZCOAJMPGOIPCG-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.64
Rot. Bonds2

About 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol

4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol (PubChem CID 155563602) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol
PubChem CID155563602
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol
SMILESNc1nc(N)c2nc(Nc3ccc(O)cc3)ccc2n1
InChIInChI=1S/C13H12N6O/c14-12-11-9(17-13(15)19-12)5-6-10(18-11)16-7-1-3-8(20)4-2-7/h1-6,20H,(H,16,18)(H4,14,15,17,19)
InChIKeyFZCOAJMPGOIPCG-UHFFFAOYSA-N
XLogP1.64
TPSA122.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol?
The IUPAC name of 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol (CID 155563602) is 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol.
What is the SMILES notation for 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol?
The canonical SMILES for 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol is Nc1nc(N)c2nc(Nc3ccc(O)cc3)ccc2n1.
What is the InChIKey of 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol?
The InChIKey is FZCOAJMPGOIPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-12-11-9(17-13(15)19-12)5-6-10(18-11)16-7-1-3-8(20)4-2-7/h1-6,20H,(H,16,18)(H4,14,15,17,19).
What are the key properties of 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol?
4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol has a molecular weight of 268.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)amino]phenol is sourced from PubChem (CID 155563602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).