N5-(4-Iodo-2-methoxy-pyridin-3-ylmethylene)-6-methyl-2-morpholin-4-yl-pyrimidine-4,5-diamine

HCID 58819980

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1nccc(I)c1C=Nc1c(C)nc(N2CCOCC2)nc1N
InChIKey: PXENJAZKTUBTTL-UHFFFAOYSA-N
Molecular formula: C16H19IN6O2
Average molar mass: 454.27 g/mol

Names & identifiers

Preferred name: N5-(4-Iodo-2-methoxy-pyridin-3-ylmethylene)-6-methyl-2-morpholin-4-yl-pyrimidine-4,5-diamine
IUPAC: 5-[(4-iodo-2-methoxy-3-pyridinyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

Names & synonyms

SCHEMBL13994734PXENJAZKTUBTTL-UHFFFAOYSA-NN5-(4-Iodo-2-methoxy-pyridin-3-ylmethylene)-6-methyl-2-morpholin-4-yl-pyrimidine-4,5-diamineN5-(4-Iodo-2-methoxy-pyridin-3ylmethylene)-6-methyl-2-morpholin-4-yl-pyrimidine-4,5-diamine

Database identifiers

PubChem CID: 58819980

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 98.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 450

Related reactions

5 records

New reaction record

HRID 101597As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 457554As productuspto-grants-2007_03

HRID 457555As reactantuspto-grants-2007_03

HRID 2377768As productuspto-grants-2008_12

HRID 2377769As reactantuspto-grants-2008_12

Compound notes

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