AC1MXYIY structure

AC1MXYIY

2-N-(3,4-dimethylphenyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine

Also Known As: {6-amino-2-[(3,4-dimethylphenyl)amino]-5-nitropyrimidin-4-yl}(oxolan-2-ylmethy l)amine|2-N-(3,4-dimethylphenyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine|N2-(3,4-DIMETHYLPHENYL)-5-NITRO-N4-[(OXOLAN-2-YL)METHYL]PYRIMIDINE-2,4,6-TRIAMINE|N~2~-(3,4-dimethylphenyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine|N2-(3,4-dimethylphenyl)-5-nitro-N4-((tetrahydrofuran-2-yl)methyl)pyrimidine-2,4,6-triamine

CAS: 586994-07-2
Molecular Formula C17H22N6O3
Molecular Weight 358.17532 g/mol
LogP 2.91834
Topological Polar Surface Area 128.23 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 358.17532
Monoisotopic Mass 358.17532
Heavy Atoms 26
Complexity 820.3858

Chemical Identifiers

CAS Number 586994-07-2
SMILES CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N)C

Product Overview

AC1MXYIY (CAS 586994-07-2), with molecular formula C17H22N6O3 and molecular weight 358.17532 g/mol. IUPAC: 2-N-(3,4-dimethylphenyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine.

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