2-(methylamino)-8H-pteridin-7-one

C7H7N5O — CID 45099691

IUPAC2-(methylamino)-8H-pteridin-7-one
SMILESCNc1ncc2ncc(=O)[nH]c2n1
InChIInChI=1S/C7H7N5O/c1-8-7-10-2-4-6(12-7)11-5(13)3-9-4/h2-3H,1H3,(H2,8,10,11,12,13)
InChIKeyNASUWEUERPRNKO-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.25
Rot. Bonds1

About 2-(methylamino)-8H-pteridin-7-one

2-(methylamino)-8H-pteridin-7-one (PubChem CID 45099691) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-(methylamino)-8H-pteridin-7-one.

Molecular Properties

Compound Name2-(methylamino)-8H-pteridin-7-one
PubChem CID45099691
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name2-(methylamino)-8H-pteridin-7-one
SMILESCNc1ncc2ncc(=O)[nH]c2n1
InChIInChI=1S/C7H7N5O/c1-8-7-10-2-4-6(12-7)11-5(13)3-9-4/h2-3H,1H3,(H2,8,10,11,12,13)
InChIKeyNASUWEUERPRNKO-UHFFFAOYSA-N
XLogP-0.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-8H-pteridin-7-one?
The IUPAC name of 2-(methylamino)-8H-pteridin-7-one (CID 45099691) is 2-(methylamino)-8H-pteridin-7-one.
What is the SMILES notation for 2-(methylamino)-8H-pteridin-7-one?
The canonical SMILES for 2-(methylamino)-8H-pteridin-7-one is CNc1ncc2ncc(=O)[nH]c2n1.
What is the InChIKey of 2-(methylamino)-8H-pteridin-7-one?
The InChIKey is NASUWEUERPRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-8-7-10-2-4-6(12-7)11-5(13)3-9-4/h2-3H,1H3,(H2,8,10,11,12,13).
What are the key properties of 2-(methylamino)-8H-pteridin-7-one?
2-(methylamino)-8H-pteridin-7-one has a molecular weight of 177.17 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-8H-pteridin-7-one is sourced from PubChem (CID 45099691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).