4-amino-1-methylpteridin-2-one

C7H7N5O — CID 23422205

IUPAC4-amino-1-methylpteridin-2-one
SMILESCn1c(=O)nc(N)c2nccnc21
InChIInChI=1S/C7H7N5O/c1-12-6-4(9-2-3-10-6)5(8)11-7(12)13/h2-3H,1H3,(H2,8,11,13)
InChIKeyOSVRIUOISHLXEX-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.69
Rot. Bonds

About 4-amino-1-methylpteridin-2-one

4-amino-1-methylpteridin-2-one (PubChem CID 23422205) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-amino-1-methylpteridin-2-one.

Molecular Properties

Compound Name4-amino-1-methylpteridin-2-one
PubChem CID23422205
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name4-amino-1-methylpteridin-2-one
SMILESCn1c(=O)nc(N)c2nccnc21
InChIInChI=1S/C7H7N5O/c1-12-6-4(9-2-3-10-6)5(8)11-7(12)13/h2-3H,1H3,(H2,8,11,13)
InChIKeyOSVRIUOISHLXEX-UHFFFAOYSA-N
XLogP-0.69
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpteridin-2-one?
The IUPAC name of 4-amino-1-methylpteridin-2-one (CID 23422205) is 4-amino-1-methylpteridin-2-one.
What is the SMILES notation for 4-amino-1-methylpteridin-2-one?
The canonical SMILES for 4-amino-1-methylpteridin-2-one is Cn1c(=O)nc(N)c2nccnc21.
What is the InChIKey of 4-amino-1-methylpteridin-2-one?
The InChIKey is OSVRIUOISHLXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-12-6-4(9-2-3-10-6)5(8)11-7(12)13/h2-3H,1H3,(H2,8,11,13).
What are the key properties of 4-amino-1-methylpteridin-2-one?
4-amino-1-methylpteridin-2-one has a molecular weight of 177.17 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpteridin-2-one is sourced from PubChem (CID 23422205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).