6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one

C9H11N5O — CID 171384554

IUPAC6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one
SMILESCNc1nc2nc(C)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O/c1-4-5(2)12-7-6(11-4)8(15)14-9(10-3)13-7/h1-3H3,(H2,10,12,13,14,15)
InChIKeyUAGZCQYHDGVJDC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.37
Rot. Bonds1

About 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one

6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one (PubChem CID 171384554) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one
PubChem CID171384554
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one
SMILESCNc1nc2nc(C)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O/c1-4-5(2)12-7-6(11-4)8(15)14-9(10-3)13-7/h1-3H3,(H2,10,12,13,14,15)
InChIKeyUAGZCQYHDGVJDC-UHFFFAOYSA-N
XLogP0.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one?
The IUPAC name of 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one (CID 171384554) is 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one.
What is the SMILES notation for 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one?
The canonical SMILES for 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one is CNc1nc2nc(C)c(C)nc2c(=O)[nH]1.
What is the InChIKey of 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one?
The InChIKey is UAGZCQYHDGVJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-4-5(2)12-7-6(11-4)8(15)14-9(10-3)13-7/h1-3H3,(H2,10,12,13,14,15).
What are the key properties of 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one?
6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(methylamino)-3H-pteridin-4-one is sourced from PubChem (CID 171384554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).