2-methoxypteridine

C7H6N4O — CID 23422064

IUPAC2-methoxypteridine
SMILESCOc1ncc2nccnc2n1
InChIInChI=1S/C7H6N4O/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3
InChIKeyNIKKSNUDXYPTRO-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.43
Rot. Bonds1

About 2-methoxypteridine

2-methoxypteridine (PubChem CID 23422064) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-methoxypteridine.

Molecular Properties

Compound Name2-methoxypteridine
PubChem CID23422064
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-methoxypteridine
SMILESCOc1ncc2nccnc2n1
InChIInChI=1S/C7H6N4O/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3
InChIKeyNIKKSNUDXYPTRO-UHFFFAOYSA-N
XLogP0.43
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypteridine?
The IUPAC name of 2-methoxypteridine (CID 23422064) is 2-methoxypteridine.
What is the SMILES notation for 2-methoxypteridine?
The canonical SMILES for 2-methoxypteridine is COc1ncc2nccnc2n1.
What is the InChIKey of 2-methoxypteridine?
The InChIKey is NIKKSNUDXYPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3.
What are the key properties of 2-methoxypteridine?
2-methoxypteridine has a molecular weight of 162.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypteridine is sourced from PubChem (CID 23422064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).