6-(2-phenylsulfanylethyl)pteridine-2,4-diamine

C14H14N6S — CID 504032

IUPAC6-(2-phenylsulfanylethyl)pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(CCSc3ccccc3)cnc2n1
InChIInChI=1S/C14H14N6S/c15-12-11-13(20-14(16)19-12)17-8-9(18-11)6-7-21-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H4,15,16,17,19,20)
InChIKeyOVPXUMDQGFGLQK-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.92
Rot. Bonds4

About 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine

6-(2-phenylsulfanylethyl)pteridine-2,4-diamine (PubChem CID 504032) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(2-phenylsulfanylethyl)pteridine-2,4-diamine
PubChem CID504032
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name6-(2-phenylsulfanylethyl)pteridine-2,4-diamine
SMILESNc1nc(N)c2nc(CCSc3ccccc3)cnc2n1
InChIInChI=1S/C14H14N6S/c15-12-11-13(20-14(16)19-12)17-8-9(18-11)6-7-21-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H4,15,16,17,19,20)
InChIKeyOVPXUMDQGFGLQK-UHFFFAOYSA-N
XLogP1.92
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine?
The IUPAC name of 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine (CID 504032) is 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine is Nc1nc(N)c2nc(CCSc3ccccc3)cnc2n1.
What is the InChIKey of 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine?
The InChIKey is OVPXUMDQGFGLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c15-12-11-13(20-14(16)19-12)17-8-9(18-11)6-7-21-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H4,15,16,17,19,20).
What are the key properties of 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine?
6-(2-phenylsulfanylethyl)pteridine-2,4-diamine has a molecular weight of 298.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylsulfanylethyl)pteridine-2,4-diamine is sourced from PubChem (CID 504032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).