3-methyl-2-(methylamino)pteridin-4-one

C8H9N5O — CID 127048051

IUPAC3-methyl-2-(methylamino)pteridin-4-one
SMILESCNc1nc2nccnc2c(=O)n1C
InChIInChI=1S/C8H9N5O/c1-9-8-12-6-5(7(14)13(8)2)10-3-4-11-6/h3-4H,1-2H3,(H,9,11,12)
InChIKeyCOULOUIASORNCV-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.23
Rot. Bonds1

About 3-methyl-2-(methylamino)pteridin-4-one

3-methyl-2-(methylamino)pteridin-4-one (PubChem CID 127048051) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)pteridin-4-one.

Molecular Properties

Compound Name3-methyl-2-(methylamino)pteridin-4-one
PubChem CID127048051
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name3-methyl-2-(methylamino)pteridin-4-one
SMILESCNc1nc2nccnc2c(=O)n1C
InChIInChI=1S/C8H9N5O/c1-9-8-12-6-5(7(14)13(8)2)10-3-4-11-6/h3-4H,1-2H3,(H,9,11,12)
InChIKeyCOULOUIASORNCV-UHFFFAOYSA-N
XLogP-0.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)pteridin-4-one?
The IUPAC name of 3-methyl-2-(methylamino)pteridin-4-one (CID 127048051) is 3-methyl-2-(methylamino)pteridin-4-one.
What is the SMILES notation for 3-methyl-2-(methylamino)pteridin-4-one?
The canonical SMILES for 3-methyl-2-(methylamino)pteridin-4-one is CNc1nc2nccnc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-(methylamino)pteridin-4-one?
The InChIKey is COULOUIASORNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-9-8-12-6-5(7(14)13(8)2)10-3-4-11-6/h3-4H,1-2H3,(H,9,11,12).
What are the key properties of 3-methyl-2-(methylamino)pteridin-4-one?
3-methyl-2-(methylamino)pteridin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)pteridin-4-one is sourced from PubChem (CID 127048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).