6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine

C25H21N6P — CID 13472696

IUPAC6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)cnc2n1
InChIInChI=1S/C25H21N6P/c26-23-22-24(31-25(27)30-23)28-16-18(29-22)17-32(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17H,(H4,26,27,28,30,31)
InChIKeyGNGOSQJKTYKWDV-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.73
Rot. Bonds4

About 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine

6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine (PubChem CID 13472696) has the molecular formula C25H21N6P and a molecular weight of 436.46 g/mol. Its IUPAC name is 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine.

Molecular Properties

Compound Name6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine
PubChem CID13472696
Molecular FormulaC25H21N6P
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)cnc2n1
InChIInChI=1S/C25H21N6P/c26-23-22-24(31-25(27)30-23)28-16-18(29-22)17-32(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17H,(H4,26,27,28,30,31)
InChIKeyGNGOSQJKTYKWDV-UHFFFAOYSA-N
XLogP2.73
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,4-diaminopteridine-6-carbaldehyde
CID 3080607
2-amino-4-benzylpteridine-6-carbaldehyde
CID 91017571
6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide
CID 18540584
2,6-diphenylpteridin-4-amine
CID 15313166
4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-N-phenylbenzamide
CID 173093936
6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine
CID 58996351
6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 19754098
[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]methylphosphonic acid
CID 46918286
4-[(2,4-diaminopteridin-6-yl)-methylamino]benzoic acid;trihydrate
CID 19805902
2-(2,4,7-triaminopteridin-6-yl)phenol
CID 135735591
6-(piperidin-1-ylmethyl)pteridine-2,4-diamine
CID 167878775
pteridine;pteridine-2,4-diamine
CID 67748436

Frequently Asked Questions

What is the IUPAC name of 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine?
The IUPAC name of 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine (CID 13472696) is 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine.
What is the SMILES notation for 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine?
The canonical SMILES for 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine is Nc1nc(N)c2nc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)cnc2n1.
What is the InChIKey of 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine?
The InChIKey is GNGOSQJKTYKWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N6P/c26-23-22-24(31-25(27)30-23)28-16-18(29-22)17-32(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17H,(H4,26,27,28,30,31).
What are the key properties of 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine?
6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine has a molecular weight of 436.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(triphenyl-lambda5-phosphanylidene)methyl]pteridine-2,4-diamine is sourced from PubChem (CID 13472696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).