4,7-dimethylpteridin-2-amine

C8H9N5 — CID 23422108

IUPAC4,7-dimethylpteridin-2-amine
SMILESCc1cnc2c(C)nc(N)nc2n1
InChIInChI=1S/C8H9N5/c1-4-3-10-6-5(2)12-8(9)13-7(6)11-4/h3H,1-2H3,(H2,9,11,12,13)
InChIKeyNLJCDBUOTWWIPX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.62
Rot. Bonds

About 4,7-dimethylpteridin-2-amine

4,7-dimethylpteridin-2-amine (PubChem CID 23422108) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,7-dimethylpteridin-2-amine.

Molecular Properties

Compound Name4,7-dimethylpteridin-2-amine
PubChem CID23422108
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name4,7-dimethylpteridin-2-amine
SMILESCc1cnc2c(C)nc(N)nc2n1
InChIInChI=1S/C8H9N5/c1-4-3-10-6-5(2)12-8(9)13-7(6)11-4/h3H,1-2H3,(H2,9,11,12,13)
InChIKeyNLJCDBUOTWWIPX-UHFFFAOYSA-N
XLogP0.62
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylpteridin-2-amine?
The IUPAC name of 4,7-dimethylpteridin-2-amine (CID 23422108) is 4,7-dimethylpteridin-2-amine.
What is the SMILES notation for 4,7-dimethylpteridin-2-amine?
The canonical SMILES for 4,7-dimethylpteridin-2-amine is Cc1cnc2c(C)nc(N)nc2n1.
What is the InChIKey of 4,7-dimethylpteridin-2-amine?
The InChIKey is NLJCDBUOTWWIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-4-3-10-6-5(2)12-8(9)13-7(6)11-4/h3H,1-2H3,(H2,9,11,12,13).
What are the key properties of 4,7-dimethylpteridin-2-amine?
4,7-dimethylpteridin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylpteridin-2-amine is sourced from PubChem (CID 23422108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).