4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol

C12H10N6O2 — CID 135750190

IUPAC4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol
SMILESNc1nc(N)c2nc(-c3ccc(O)c(O)c3)cnc2n1
InChIInChI=1S/C12H10N6O2/c13-10-9-11(18-12(14)17-10)15-4-6(16-9)5-1-2-7(19)8(20)3-5/h1-4,19-20H,(H4,13,14,15,17,18)
InChIKeyRENIFQAUBSYIID-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.66
Rot. Bonds1

About 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol

4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol (PubChem CID 135750190) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol
PubChem CID135750190
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol
SMILESNc1nc(N)c2nc(-c3ccc(O)c(O)c3)cnc2n1
InChIInChI=1S/C12H10N6O2/c13-10-9-11(18-12(14)17-10)15-4-6(16-9)5-1-2-7(19)8(20)3-5/h1-4,19-20H,(H4,13,14,15,17,18)
InChIKeyRENIFQAUBSYIID-UHFFFAOYSA-N
XLogP0.66
TPSA144.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

TG-100115
CID 10427712
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6,7-Bis(3,4-dihydroxyphenyl)-pteridine-2,4-diamine
CID 135485500
4-[4-Amino-6-(3,4-dihydroxyphenyl)pteridin-7-yl]benzene-1,2-diol
CID 135492555
4-(Imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
CID 764266
4-[2,4-Diamino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
CID 249363
3-[4-Amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol
CID 10088066
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
6,7-Bis(4-hydroxyphenyl)-pteridin-4-ylamine
CID 135409495
Phenol, 4-(2,4-diamino-6-pteridinyl)-
CID 135492341
4-(2,4-Diaminopteridin-7-yl)benzene-1,2-diol
CID 135610083

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol?
The IUPAC name of 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol (CID 135750190) is 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol is Nc1nc(N)c2nc(-c3ccc(O)c(O)c3)cnc2n1.
What is the InChIKey of 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol?
The InChIKey is RENIFQAUBSYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c13-10-9-11(18-12(14)17-10)15-4-6(16-9)5-1-2-7(19)8(20)3-5/h1-4,19-20H,(H4,13,14,15,17,18).
What are the key properties of 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol?
4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol has a molecular weight of 270.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminopteridin-6-yl)benzene-1,2-diol is sourced from PubChem (CID 135750190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).