2-amino-3,6,7-trimethylpteridin-4-one

C9H11N5O — CID 13027744

IUPAC2-amino-3,6,7-trimethylpteridin-4-one
SMILESCc1nc2nc(N)n(C)c(=O)c2nc1C
InChIInChI=1S/C9H11N5O/c1-4-5(2)12-7-6(11-4)8(15)14(3)9(10)13-7/h1-3H3,(H2,10,12,13)
InChIKeyXDWUQCOTXWVWPV-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.08
Rot. Bonds

About 2-amino-3,6,7-trimethylpteridin-4-one

2-amino-3,6,7-trimethylpteridin-4-one (PubChem CID 13027744) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-3,6,7-trimethylpteridin-4-one.

Molecular Properties

Compound Name2-amino-3,6,7-trimethylpteridin-4-one
PubChem CID13027744
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-amino-3,6,7-trimethylpteridin-4-one
SMILESCc1nc2nc(N)n(C)c(=O)c2nc1C
InChIInChI=1S/C9H11N5O/c1-4-5(2)12-7-6(11-4)8(15)14(3)9(10)13-7/h1-3H3,(H2,10,12,13)
InChIKeyXDWUQCOTXWVWPV-UHFFFAOYSA-N
XLogP-0.08
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6,7-trimethylpteridin-4-one?
The IUPAC name of 2-amino-3,6,7-trimethylpteridin-4-one (CID 13027744) is 2-amino-3,6,7-trimethylpteridin-4-one.
What is the SMILES notation for 2-amino-3,6,7-trimethylpteridin-4-one?
The canonical SMILES for 2-amino-3,6,7-trimethylpteridin-4-one is Cc1nc2nc(N)n(C)c(=O)c2nc1C.
What is the InChIKey of 2-amino-3,6,7-trimethylpteridin-4-one?
The InChIKey is XDWUQCOTXWVWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-4-5(2)12-7-6(11-4)8(15)14(3)9(10)13-7/h1-3H3,(H2,10,12,13).
What are the key properties of 2-amino-3,6,7-trimethylpteridin-4-one?
2-amino-3,6,7-trimethylpteridin-4-one has a molecular weight of 205.22 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6,7-trimethylpteridin-4-one is sourced from PubChem (CID 13027744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).