6-phenylpteridin-4-amine

C12H9N5 — CID 10513277

IUPAC6-phenylpteridin-4-amine
SMILESNc1ncnc2ncc(-c3ccccc3)nc12
InChIInChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)14-6-9(17-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16)
InChIKeyFXKPEYTWAKGVLS-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.67
Rot. Bonds1

About 6-phenylpteridin-4-amine

6-phenylpteridin-4-amine (PubChem CID 10513277) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-phenylpteridin-4-amine.

Molecular Properties

Compound Name6-phenylpteridin-4-amine
PubChem CID10513277
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name6-phenylpteridin-4-amine
SMILESNc1ncnc2ncc(-c3ccccc3)nc12
InChIInChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)14-6-9(17-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16)
InChIKeyFXKPEYTWAKGVLS-UHFFFAOYSA-N
XLogP1.67
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Triamterene
CID 5546
Imiquimod
CID 57469
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Pd 158780
CID 4707
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
CR-4056
CID 24898732
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Ngd 94-1
CID 188942

Frequently Asked Questions

What is the IUPAC name of 6-phenylpteridin-4-amine?
The IUPAC name of 6-phenylpteridin-4-amine (CID 10513277) is 6-phenylpteridin-4-amine.
What is the SMILES notation for 6-phenylpteridin-4-amine?
The canonical SMILES for 6-phenylpteridin-4-amine is Nc1ncnc2ncc(-c3ccccc3)nc12.
What is the InChIKey of 6-phenylpteridin-4-amine?
The InChIKey is FXKPEYTWAKGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)14-6-9(17-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16).
What are the key properties of 6-phenylpteridin-4-amine?
6-phenylpteridin-4-amine has a molecular weight of 223.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpteridin-4-amine is sourced from PubChem (CID 10513277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).