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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Related Compounds

4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061104
6-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 145262493
6-N-phenyl-4-propan-2-yloxypyrido[3,2-d]pyrimidine-2,6-diamine
CID 66815428
(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methanol
CID 13345225
4-(3-ethoxypropoxy)-6-N-phenylpyrido[3,2-d]pyrimidine-2,6-diamine
CID 66815379
2,4-diaminopyrido[3,2-d]pyrimidine-6-carbaldehyde
CID 71318701
4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride
CID 18560677
4-[[2-amino-6-(methylamino)-5-nitrosopyrimidin-4-yl]amino]phenol
CID 72702120
2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine
CID 141294407
4-[[3-(4-hydroxyanilino)-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenol
CID 136938461
4-[(3-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061053
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048

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).