4-Methoxypteridin-2-amine

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Basic information

CAS: 2277-48-7
Standard SMILES: COc1nc(N)nc2nccnc12
InChIKey: BPBWGGWVUHSHJW-UHFFFAOYSA-N
Molecular formula: C7H7N5O
Average molar mass: 177.16 g/mol
Monoisotopic mass: 177.06505986

Names & identifiers

Preferred name: 4-Methoxypteridin-2-amine
IUPAC: 4-methoxypteridin-2-amine

Names & synonyms

4-methoxypteridin-2-amine2277-48-7DTXSID60289096RefChem:294030DTXCID002402422-amino-4-methoxypteridineNSC58993SCHEMBL6713100pteridine, 2-amino-4-methoxy-BPBWGGWVUHSHJW-UHFFFAOYSA-NNSC-58993AT20071

Database identifiers

CAS: 2277-48-7
PubChem CID: 246283
DTXSID: DTXSID60289096

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 86.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 178

Related reactions

7 records

New reaction record

HRID 168163As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 296660As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1980440As reactantuspto-grants-1985_04

HRID 1980442As reactantuspto-grants-1985_04

HRID 1980443As reactantuspto-grants-1985_04

HRID 1980446As reactantuspto-grants-1985_04

HRID 2330519As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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