2-N-benzyl-4-N-phenylpteridine-2,4-diamine

C19H16N6 — CID 16911184

IUPAC2-N-benzyl-4-N-phenylpteridine-2,4-diamine
SMILESc1ccc(CNc2nc(Nc3ccccc3)c3nccnc3n2)cc1
InChIInChI=1S/C19H16N6/c1-3-7-14(8-4-1)13-22-19-24-17-16(20-11-12-21-17)18(25-19)23-15-9-5-2-6-10-15/h1-12H,13H2,(H2,21,22,23,24,25)
InChIKeyDPBVHJDGDGSWFV-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.78
Rot. Bonds5

About 2-N-benzyl-4-N-phenylpteridine-2,4-diamine

2-N-benzyl-4-N-phenylpteridine-2,4-diamine (PubChem CID 16911184) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-N-benzyl-4-N-phenylpteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-phenylpteridine-2,4-diamine
PubChem CID16911184
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name2-N-benzyl-4-N-phenylpteridine-2,4-diamine
SMILESc1ccc(CNc2nc(Nc3ccccc3)c3nccnc3n2)cc1
InChIInChI=1S/C19H16N6/c1-3-7-14(8-4-1)13-22-19-24-17-16(20-11-12-21-17)18(25-19)23-15-9-5-2-6-10-15/h1-12H,13H2,(H2,21,22,23,24,25)
InChIKeyDPBVHJDGDGSWFV-UHFFFAOYSA-N
XLogP3.78
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174
4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
CID 16911130
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
3-[[5-(benzylamino)-2H-triazolo[4,5-d]pyrimidin-7-yl]amino]benzenesulfonamide
CID 68645318
1-[(7-anilino-2H-triazolo[4,5-d]pyrimidin-5-yl)amino]propan-2-ol
CID 57472258
4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
CID 51699968
2-N-[2-(1H-indol-2-yl)ethyl]-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910758
2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910626
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-phenylpteridine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-phenylpteridine-2,4-diamine (CID 16911184) is 2-N-benzyl-4-N-phenylpteridine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-phenylpteridine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-phenylpteridine-2,4-diamine is c1ccc(CNc2nc(Nc3ccccc3)c3nccnc3n2)cc1.
What is the InChIKey of 2-N-benzyl-4-N-phenylpteridine-2,4-diamine?
The InChIKey is DPBVHJDGDGSWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-3-7-14(8-4-1)13-22-19-24-17-16(20-11-12-21-17)18(25-19)23-15-9-5-2-6-10-15/h1-12H,13H2,(H2,21,22,23,24,25).
What are the key properties of 2-N-benzyl-4-N-phenylpteridine-2,4-diamine?
2-N-benzyl-4-N-phenylpteridine-2,4-diamine has a molecular weight of 328.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-phenylpteridine-2,4-diamine is sourced from PubChem (CID 16911184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).