6-(1H-indol-4-yl)pteridine-2,4-diamine

C14H11N7 — CID 23652302

IUPAC6-(1H-indol-4-yl)pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(-c3cccc4[nH]ccc34)cnc2n1
InChIInChI=1S/C14H11N7/c15-12-11-13(21-14(16)20-12)18-6-10(19-11)7-2-1-3-9-8(7)4-5-17-9/h1-6,17H,(H4,15,16,18,20,21)
InChIKeyWATUAWIVOKPMCL-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.73
Rot. Bonds1

About 6-(1H-indol-4-yl)pteridine-2,4-diamine

6-(1H-indol-4-yl)pteridine-2,4-diamine (PubChem CID 23652302) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-(1H-indol-4-yl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(1H-indol-4-yl)pteridine-2,4-diamine
PubChem CID23652302
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name6-(1H-indol-4-yl)pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(-c3cccc4[nH]ccc34)cnc2n1
InChIInChI=1S/C14H11N7/c15-12-11-13(21-14(16)20-12)18-6-10(19-11)7-2-1-3-9-8(7)4-5-17-9/h1-6,17H,(H4,15,16,18,20,21)
InChIKeyWATUAWIVOKPMCL-UHFFFAOYSA-N
XLogP1.73
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-4-yl)pteridine-2,4-diamine?
The IUPAC name of 6-(1H-indol-4-yl)pteridine-2,4-diamine (CID 23652302) is 6-(1H-indol-4-yl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(1H-indol-4-yl)pteridine-2,4-diamine?
The canonical SMILES for 6-(1H-indol-4-yl)pteridine-2,4-diamine is Nc1nc(N)c2nc(-c3cccc4[nH]ccc34)cnc2n1.
What is the InChIKey of 6-(1H-indol-4-yl)pteridine-2,4-diamine?
The InChIKey is WATUAWIVOKPMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c15-12-11-13(21-14(16)20-12)18-6-10(19-11)7-2-1-3-9-8(7)4-5-17-9/h1-6,17H,(H4,15,16,18,20,21).
What are the key properties of 6-(1H-indol-4-yl)pteridine-2,4-diamine?
6-(1H-indol-4-yl)pteridine-2,4-diamine has a molecular weight of 277.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-4-yl)pteridine-2,4-diamine is sourced from PubChem (CID 23652302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).