6-[(dimethylamino)methyl]pteridine-2,4-diamine

C9H13N7 — CID 10608906

IUPAC6-[(dimethylamino)methyl]pteridine-2,4-diamine
SMILESCN(C)Cc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C9H13N7/c1-16(2)4-5-3-12-8-6(13-5)7(10)14-9(11)15-8/h3H,4H2,1-2H3,(H4,10,11,12,14,15)
InChIKeyVEVQVJDSTQBCCK-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.35
Rot. Bonds2

About 6-[(dimethylamino)methyl]pteridine-2,4-diamine

6-[(dimethylamino)methyl]pteridine-2,4-diamine (PubChem CID 10608906) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]pteridine-2,4-diamine.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]pteridine-2,4-diamine
PubChem CID10608906
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name6-[(dimethylamino)methyl]pteridine-2,4-diamine
SMILESCN(C)Cc1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C9H13N7/c1-16(2)4-5-3-12-8-6(13-5)7(10)14-9(11)15-8/h3H,4H2,1-2H3,(H4,10,11,12,14,15)
InChIKeyVEVQVJDSTQBCCK-UHFFFAOYSA-N
XLogP-0.35
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]pteridine-2,4-diamine?
The IUPAC name of 6-[(dimethylamino)methyl]pteridine-2,4-diamine (CID 10608906) is 6-[(dimethylamino)methyl]pteridine-2,4-diamine.
What is the SMILES notation for 6-[(dimethylamino)methyl]pteridine-2,4-diamine?
The canonical SMILES for 6-[(dimethylamino)methyl]pteridine-2,4-diamine is CN(C)Cc1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-[(dimethylamino)methyl]pteridine-2,4-diamine?
The InChIKey is VEVQVJDSTQBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7/c1-16(2)4-5-3-12-8-6(13-5)7(10)14-9(11)15-8/h3H,4H2,1-2H3,(H4,10,11,12,14,15).
What are the key properties of 6-[(dimethylamino)methyl]pteridine-2,4-diamine?
6-[(dimethylamino)methyl]pteridine-2,4-diamine has a molecular weight of 219.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]pteridine-2,4-diamine is sourced from PubChem (CID 10608906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).