N,N-dimethylpteridin-4-amine

C8H9N5 — CID 23422101

IUPACN,N-dimethylpteridin-4-amine
SMILESCN(C)c1ncnc2nccnc12
InChIInChI=1S/C8H9N5/c1-13(2)8-6-7(11-5-12-8)10-4-3-9-6/h3-5H,1-2H3
InChIKeyKXQWQYBKUMVBIB-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.49
Rot. Bonds1

About N,N-dimethylpteridin-4-amine

N,N-dimethylpteridin-4-amine (PubChem CID 23422101) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N,N-dimethylpteridin-4-amine.

Molecular Properties

Compound NameN,N-dimethylpteridin-4-amine
PubChem CID23422101
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN,N-dimethylpteridin-4-amine
SMILESCN(C)c1ncnc2nccnc12
InChIInChI=1S/C8H9N5/c1-13(2)8-6-7(11-5-12-8)10-4-3-9-6/h3-5H,1-2H3
InChIKeyKXQWQYBKUMVBIB-UHFFFAOYSA-N
XLogP0.49
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpteridin-4-amine?
The IUPAC name of N,N-dimethylpteridin-4-amine (CID 23422101) is N,N-dimethylpteridin-4-amine.
What is the SMILES notation for N,N-dimethylpteridin-4-amine?
The canonical SMILES for N,N-dimethylpteridin-4-amine is CN(C)c1ncnc2nccnc12.
What is the InChIKey of N,N-dimethylpteridin-4-amine?
The InChIKey is KXQWQYBKUMVBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-13(2)8-6-7(11-5-12-8)10-4-3-9-6/h3-5H,1-2H3.
What are the key properties of N,N-dimethylpteridin-4-amine?
N,N-dimethylpteridin-4-amine has a molecular weight of 175.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpteridin-4-amine is sourced from PubChem (CID 23422101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).