6-methyl-N2-(4-(oxazol-5-yl)phenyl)-N4-((tetrahydro-2H-pyran-4-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

HCID 46199895

Notes Reactions

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Basic information

Standard SMILES: CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1
InChIKey: ZCRBPYWKJOGBBW-UHFFFAOYSA-N
Molecular formula: C23H28N6O2
Average molar mass: 420.5 g/mol

Names & identifiers

Preferred name: 6-methyl-N2-(4-(oxazol-5-yl)phenyl)-N4-((tetrahydro-2H-pyran-4-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
IUPAC: 6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL2447413ZCRBPYWKJOGBBW-UHFFFAOYSA-N6-methyl-N2-(4-(oxazol-5-yl)phenyl)-N4-((tetrahydro-2H-pyran-4-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

Database identifiers

PubChem CID: 46199895

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 31
Formal charge: 0
Complexity: 554

Related reactions

2 records

New reaction record

HRID 800900As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1930673As productuspto-grants-2012_05

Compound notes

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