{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 1)"],"submitter":["Yang Q"],"pubmed_abstract":["In the title mol-ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007 Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032 (1) and 0.009 (5) Å, respectively], while the methyl C atom lies 0.100 (15) Å from this plane with a dihedral angle between the pyrimidine ring and the methyl-amine group of 4.5 (3)°. In the crystal, C-H⋯N, C-H⋯Br and N-H⋯N hydrogen bonds link the mol-ecules into a two-dimensional network in the (011) plane."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o111"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3254458"],"repository":["biostudies-literature"],"pubmed_title":["5-Bromo-N-methyl-pyrimidin-2-amine."],"pmcid":["PMC3254458"],"pubmed_authors":["Xu N","Lv X","Zhu K","Han PF","Yang Q"],"additional_accession":[]},"is_claimable":false,"name":"5-Bromo-N-methyl-pyrimidin-2-amine.","description":"In the title mol-ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007 Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032 (1) and 0.009 (5) Å, respectively], while the methyl C atom lies 0.100 (15) Å from this plane with a dihedral angle between the pyrimidine ring and the methyl-amine group of 4.5 (3)°. In the crystal, C-H⋯N, C-H⋯Br and N-H⋯N hydrogen bonds link the mol-ecules into a two-dimensional network in the (011) plane.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jan","modification":"2025-04-26T21:35:37.141Z","creation":"2019-03-26T23:59:37Z"},"accession":"S-EPMC3254458","cross_references":{"pubmed":["22259398"],"doi":["10.1107/S1600536811051531"]}}