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

C7H9N7 — CID 10511905

IUPAC6-(aminomethyl)pteridine-2,4-diamine
SMILESNCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C7H9N7/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6/h2H,1,8H2,(H4,9,10,11,13,14)
InChIKeyXBEUQVLNPDEQKL-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.96
Rot. Bonds1

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

6-(aminomethyl)pteridine-2,4-diamine (PubChem CID 10511905) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 6-(aminomethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(aminomethyl)pteridine-2,4-diamine
PubChem CID10511905
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name6-(aminomethyl)pteridine-2,4-diamine
SMILESNCc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C7H9N7/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6/h2H,1,8H2,(H4,9,10,11,13,14)
InChIKeyXBEUQVLNPDEQKL-UHFFFAOYSA-N
XLogP-0.96
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)pteridine-2,4-diamine?
The IUPAC name of 6-(aminomethyl)pteridine-2,4-diamine (CID 10511905) is 6-(aminomethyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(aminomethyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(aminomethyl)pteridine-2,4-diamine is NCc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-(aminomethyl)pteridine-2,4-diamine?
The InChIKey is XBEUQVLNPDEQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6/h2H,1,8H2,(H4,9,10,11,13,14).
What are the key properties of 6-(aminomethyl)pteridine-2,4-diamine?
6-(aminomethyl)pteridine-2,4-diamine has a molecular weight of 191.20 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)pteridine-2,4-diamine is sourced from PubChem (CID 10511905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).