4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine

C27H24N6O — CID 10575453

IUPAC4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N(Cc4ccccc4)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C27H24N6O/c1-34-22-14-12-21(13-15-22)23-16-29-25-24(30-23)26(32-27(28)31-25)33(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H2,28,29,31,32)
InChIKeyGFOZGTWUCAGSEA-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.88
Rot. Bonds7

About 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine

4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine (PubChem CID 10575453) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine
PubChem CID10575453
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N(Cc4ccccc4)Cc4ccccc4)c3n2)cc1
InChIInChI=1S/C27H24N6O/c1-34-22-14-12-21(13-15-22)23-16-29-25-24(30-23)26(32-27(28)31-25)33(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H2,28,29,31,32)
InChIKeyGFOZGTWUCAGSEA-UHFFFAOYSA-N
XLogP4.88
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine?
The IUPAC name of 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine (CID 10575453) is 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine is COc1ccc(-c2cnc3nc(N)nc(N(Cc4ccccc4)Cc4ccccc4)c3n2)cc1.
What is the InChIKey of 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine?
The InChIKey is GFOZGTWUCAGSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-34-22-14-12-21(13-15-22)23-16-29-25-24(30-23)26(32-27(28)31-25)33(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H2,28,29,31,32).
What are the key properties of 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine?
4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine has a molecular weight of 448.53 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 10575453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).