6-phenylpteridine-2,4-diamine

C12H10N6 — CID 10130945

IUPAC6-phenylpteridine-2,4-diamine
SMILESNc1nc(N)c2nc(-c3ccccc3)cnc2n1
InChIInChI=1S/C12H10N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,17,18)
InChIKeySDGPFJCKLDWNSA-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.25
Rot. Bonds1

About 6-phenylpteridine-2,4-diamine

6-phenylpteridine-2,4-diamine (PubChem CID 10130945) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-phenylpteridine-2,4-diamine.

Molecular Properties

Compound Name6-phenylpteridine-2,4-diamine
PubChem CID10130945
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name6-phenylpteridine-2,4-diamine
SMILESNc1nc(N)c2nc(-c3ccccc3)cnc2n1
InChIInChI=1S/C12H10N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,17,18)
InChIKeySDGPFJCKLDWNSA-UHFFFAOYSA-N
XLogP1.25
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenylpteridine-2,4-diamine?
The IUPAC name of 6-phenylpteridine-2,4-diamine (CID 10130945) is 6-phenylpteridine-2,4-diamine.
What is the SMILES notation for 6-phenylpteridine-2,4-diamine?
The canonical SMILES for 6-phenylpteridine-2,4-diamine is Nc1nc(N)c2nc(-c3ccccc3)cnc2n1.
What is the InChIKey of 6-phenylpteridine-2,4-diamine?
The InChIKey is SDGPFJCKLDWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,17,18).
What are the key properties of 6-phenylpteridine-2,4-diamine?
6-phenylpteridine-2,4-diamine has a molecular weight of 238.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpteridine-2,4-diamine is sourced from PubChem (CID 10130945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).