7-phenylpteridin-4-amine

C12H9N5 — CID 3056066

IUPAC7-phenylpteridin-4-amine
SMILESNc1ncnc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)17-9(6-14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,15,16,17)
InChIKeyYZCLSEIRDPNKJP-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.67
Rot. Bonds1

About 7-phenylpteridin-4-amine

7-phenylpteridin-4-amine (PubChem CID 3056066) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 7-phenylpteridin-4-amine.

Molecular Properties

Compound Name7-phenylpteridin-4-amine
PubChem CID3056066
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name7-phenylpteridin-4-amine
SMILESNc1ncnc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)17-9(6-14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,15,16,17)
InChIKeyYZCLSEIRDPNKJP-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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Frequently Asked Questions

What is the IUPAC name of 7-phenylpteridin-4-amine?
The IUPAC name of 7-phenylpteridin-4-amine (CID 3056066) is 7-phenylpteridin-4-amine.
What is the SMILES notation for 7-phenylpteridin-4-amine?
The canonical SMILES for 7-phenylpteridin-4-amine is Nc1ncnc2nc(-c3ccccc3)cnc12.
What is the InChIKey of 7-phenylpteridin-4-amine?
The InChIKey is YZCLSEIRDPNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)17-9(6-14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,15,16,17).
What are the key properties of 7-phenylpteridin-4-amine?
7-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 7-phenylpteridin-4-amine is sourced from PubChem (CID 3056066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).