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

C9H12N6O — CID 10704150

IUPAC6-(ethoxymethyl)pteridine-2,4-diamine
SMILESCCOCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C9H12N6O/c1-2-16-4-5-3-12-8-6(13-5)7(10)14-9(11)15-8/h3H,2,4H2,1H3,(H4,10,11,12,14,15)
InChIKeyNKIMZNYQEFBYGW-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.12
Rot. Bonds3

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

6-(ethoxymethyl)pteridine-2,4-diamine (PubChem CID 10704150) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-(ethoxymethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(ethoxymethyl)pteridine-2,4-diamine
PubChem CID10704150
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-(ethoxymethyl)pteridine-2,4-diamine
SMILESCCOCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C9H12N6O/c1-2-16-4-5-3-12-8-6(13-5)7(10)14-9(11)15-8/h3H,2,4H2,1H3,(H4,10,11,12,14,15)
InChIKeyNKIMZNYQEFBYGW-UHFFFAOYSA-N
XLogP0.12
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)pteridine-2,4-diamine?
The IUPAC name of 6-(ethoxymethyl)pteridine-2,4-diamine (CID 10704150) is 6-(ethoxymethyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(ethoxymethyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(ethoxymethyl)pteridine-2,4-diamine is CCOCc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-(ethoxymethyl)pteridine-2,4-diamine?
The InChIKey is NKIMZNYQEFBYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-2-16-4-5-3-12-8-6(13-5)7(10)14-9(11)15-8/h3H,2,4H2,1H3,(H4,10,11,12,14,15).
What are the key properties of 6-(ethoxymethyl)pteridine-2,4-diamine?
6-(ethoxymethyl)pteridine-2,4-diamine has a molecular weight of 220.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)pteridine-2,4-diamine is sourced from PubChem (CID 10704150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).