7-Methoxy-10H-pyrido(2,3-b)pyrimido(4,5-e)(1,4)thiazine-2,4-diamine

HCID 73007

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Basic information

CAS: 42362-20-9
Standard SMILES: COc1ccc2c(n1)Sc1c(N)nc(N)nc1N2
InChIKey: LHABWFJUCMQSEM-UHFFFAOYSA-N
Molecular formula: C10H10N6OS
Average molar mass: 262.29 g/mol
Monoisotopic mass: 262.06368014

Names & identifiers

Preferred name: 7-Methoxy-10H-pyrido(2,3-b)pyrimido(4,5-e)(1,4)thiazine-2,4-diamine
IUPAC: 12-methoxy-9-thia-2,4,6,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene-5,7-diamine

Names & synonyms

42362-20-9PFQ6LVG4XX10H-Pyrido(2,3-b)pyrimido(4,5-e)(1,4)thiazine-2,4-diamine, 7-methoxy-NSC 194985UNII-PFQ6LVG4XXNSC-1949857-Methoxy-10H-pyrido(2,3-b)pyrimido(4,5-e)(1,4)thiazine-2,4-diamine7-methoxy-10h-pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine-2,4-diamineDTXSID301951701H-PYRIDO(2,3-B)PYRIMIDO(4,5-E)(1,4)THIAZINE-2,4-DIAMINE, 7-METHOXY-10H-Pyrido[2,3-b]pyrimido[4,5-e][1,4]thiazine-2,4-diamine, 7-methoxy-RefChem:199186

Show more names

DTXCID40117661NSC194985SCHEMBL140587927-methoxy-10H-pyrido[[?]]pyrimido[[?]][1,4]thiazine-2,4-diamine

Database identifiers

CAS: 42362-20-9
PubChem CID: 73007
DTXSID: DTXSID30195170
UNII: PFQ6LVG4XX
Nikkaji: J66.663G

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 137 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 308

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