6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine

C8H9N7O — CID 58996351

IUPAC6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine
SMILESC=NOCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C8H9N7O/c1-11-16-3-4-2-12-7-5(13-4)6(9)14-8(10)15-7/h2H,1,3H2,(H4,9,10,12,14,15)
InChIKeyADKGKZNDDQLWGH-UHFFFAOYSA-N
MW219.21 g/mol
LogP-0.28
Rot. Bonds3

About 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine

6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine (PubChem CID 58996351) has the molecular formula C8H9N7O and a molecular weight of 219.21 g/mol. Its IUPAC name is 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine.

Molecular Properties

Compound Name6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine
PubChem CID58996351
Molecular FormulaC8H9N7O
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine
SMILESC=NOCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C8H9N7O/c1-11-16-3-4-2-12-7-5(13-4)6(9)14-8(10)15-7/h2H,1,3H2,(H4,9,10,12,14,15)
InChIKeyADKGKZNDDQLWGH-UHFFFAOYSA-N
XLogP-0.28
TPSA125.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(piperidin-1-ylmethyl)pteridine-2,4-diamine
CID 167878775
methyl 4-[(2,4-diaminopteridin-6-yl)methoxy]benzoate
CID 134112689
bis[[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]methoxy]-oxophosphanium
CID 123244205
2,4-diaminopteridine-6-carbaldehyde
CID 3080607
tert-butyl 2-[(2,4-diaminopteridin-6-yl)methylamino]-3-(4-hydroxyphenyl)propanoate
CID 58847294
4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzenethiol
CID 142963003
4-[2-(2,4-diaminopteridin-6-yl)ethylsulfanyl]benzoic acid
CID 12658994
[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]methylphosphonic acid
CID 46918286
3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methylamino]benzoic acid
CID 10022649
6-(1-bromoethyl)pteridine-2,4-diamine;hydrobromide
CID 18540584
4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl azide
CID 15816439
4-[2-carboxy-1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoic acid
CID 123386629

Frequently Asked Questions

What is the IUPAC name of 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine?
The IUPAC name of 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine (CID 58996351) is 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine.
What is the SMILES notation for 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine?
The canonical SMILES for 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine is C=NOCc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine?
The InChIKey is ADKGKZNDDQLWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O/c1-11-16-3-4-2-12-7-5(13-4)6(9)14-8(10)15-7/h2H,1,3H2,(H4,9,10,12,14,15).
What are the key properties of 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine?
6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine has a molecular weight of 219.21 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(methylideneamino)oxymethyl]pteridine-2,4-diamine is sourced from PubChem (CID 58996351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).