4-Amino-2-[(2-phthalimidoethyl)thiomethyl)pyrimidine

HCID 21298818

Notes Reactions

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Basic information

Standard SMILES: Nc1ccnc(CSCCN2C(=O)c3ccccc3C2=O)n1
InChIKey: VHWPOODFQBOEQR-UHFFFAOYSA-N
Molecular formula: C15H14N4O2S
Average molar mass: 314.4 g/mol

Names & identifiers

Preferred name: 4-Amino-2-[(2-phthalimidoethyl)thiomethyl)pyrimidine
IUPAC: 2-[2-[(4-aminopyrimidin-2-yl)methylsulfanyl]ethyl]isoindole-1,3-dione

Names & synonyms

4-amino-2-[(2-phthalimidoethyl)thiomethyl)pyrimidine4-amino-2-[(2-phthalimidoethyl)thiomethyl]pyrimidineSCHEMBL10676066VHWPOODFQBOEQR-UHFFFAOYSA-N4-amino-2-[(2-phthalimidoethyl)-thiomethyl]pyrimidine

Database identifiers

PubChem CID: 21298818

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 114 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 410

Related reactions

8 records

New reaction record

HRID 34769As productuspto-grants-1988_08

HRID 34770As reactantuspto-grants-1988_08

HRID 114562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 364268As productuspto-grants-1986_08

HRID 364269As reactantuspto-grants-1986_08

HRID 831478As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1902270As productuspto-grants-1982_12

HRID 1902271As reactantuspto-grants-1982_12

Compound notes

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