2-(ethylamino)-6,8-dimethylpteridin-7-one

C10H13N5O — CID 3233743

IUPAC2-(ethylamino)-6,8-dimethylpteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(C)c2n1
InChIInChI=1S/C10H13N5O/c1-4-11-10-12-5-7-8(14-10)15(3)9(16)6(2)13-7/h5H,4H2,1-3H3,(H,11,12,14)
InChIKeyWZRKYSAVLOLXJN-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.46
Rot. Bonds2

About 2-(ethylamino)-6,8-dimethylpteridin-7-one

2-(ethylamino)-6,8-dimethylpteridin-7-one (PubChem CID 3233743) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(ethylamino)-6,8-dimethylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6,8-dimethylpteridin-7-one
PubChem CID3233743
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(ethylamino)-6,8-dimethylpteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(C)c2n1
InChIInChI=1S/C10H13N5O/c1-4-11-10-12-5-7-8(14-10)15(3)9(16)6(2)13-7/h5H,4H2,1-3H3,(H,11,12,14)
InChIKeyWZRKYSAVLOLXJN-UHFFFAOYSA-N
XLogP0.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6,8-dimethylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-6,8-dimethylpteridin-7-one (CID 3233743) is 2-(ethylamino)-6,8-dimethylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6,8-dimethylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6,8-dimethylpteridin-7-one is CCNc1ncc2nc(C)c(=O)n(C)c2n1.
What is the InChIKey of 2-(ethylamino)-6,8-dimethylpteridin-7-one?
The InChIKey is WZRKYSAVLOLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-4-11-10-12-5-7-8(14-10)15(3)9(16)6(2)13-7/h5H,4H2,1-3H3,(H,11,12,14).
What are the key properties of 2-(ethylamino)-6,8-dimethylpteridin-7-one?
2-(ethylamino)-6,8-dimethylpteridin-7-one has a molecular weight of 219.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6,8-dimethylpteridin-7-one is sourced from PubChem (CID 3233743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).