4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbothioic acid [4-(4-ethyl-piperazine-1-carbonyl)-phenyl]-amide

HCID 59244602
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Basic information

Standard SMILES
CCN1CCN(C(=O)c2ccc(NC(=S)N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1
InChIKey
KSYHDNUDMOSOFW-UHFFFAOYSA-N
Molecular formula
C28H34N10O2S
Average molar mass
574.7 g/mol

Names & identifiers

Preferred name
4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbothioic acid [4-(4-ethyl-piperazine-1-carbonyl)-phenyl]-amide
IUPAC
4-(2-aminopyrimidin-5-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide

Names & synonyms

SCHEMBL2378726KSYHDNUDMOSOFW-UHFFFAOYSA-N4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbothioic acid [4-(4-ethyl-piperazine-1-carbonyl)-phenyl]-amide

Database identifiers

PubChem CID
59244602

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
161 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
41

Related reactions

2 records
New reaction record

Linked notes

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