UCSF

ZINC66323412

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 16 Yes

Popular Name: N-hexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine N-hexyl-7H-pyrrolo[2,3-d]pyrimid…

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CAS Numbers: 57357-98-9 , [57357-98-9] , [57361-74-7] , [57362-77-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 7.46 -8.22 2 4 0 54 218.304 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.480000000000000e+002 - 1.500000000000000e+002 KeyOrganics
melting_point 148 - 150 KeyOrganics
MP 148-150° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )