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6-methyl-N2-(4-(2-methyl-1H-imidazol-1-yl)phenyl)-N4-((tetrahydro-2H-pyran-4-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

HCID 46199739
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nccn1-c1ccc(Nc2nc3c(c(NCC4CCOCC4)n2)CN(C)CC3)cc1
InChIKey
HBFVFNKTZXYGQZ-UHFFFAOYSA-N
Molecular formula
C24H31N7O
Average molar mass
433.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2448060HBFVFNKTZXYGQZ-UHFFFAOYSA-N6-methyl-N2-(4-(2-methyl-1H-imidazol-1-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
46199739

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
80.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
581

Related reactions

2 records
New reaction record
HRID 113511 reaction equation
HRID 113511As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1930660 reaction equation
HRID 1930660As productuspto-grants-2012_05

Compound notes

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