5-(Naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine

HCID 516693

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Basic information

CAS: 651359-45-4
Standard SMILES: Nc1ncc(CSc2ccc3ccccc3c2)c(N)n1
InChIKey: CWBULLIIEUGLCN-UHFFFAOYSA-N
Molecular formula: C15H14N4S
Average molar mass: 282.4 g/mol
Monoisotopic mass: 282.09391764

Names & identifiers

Preferred name: 5-(Naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine
IUPAC: 5-(naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine

Names & synonyms

5-(naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine651359-45-4CHEMBL4251525-(Naphthalen-2-ylsulfanylmethyl)-pyrimidine-2,4-diamineDTXSID903336725-(2-naphthylsulfanylmethyl)pyrimidine-2,4-diamine5-{[(Naphthalen-2-yl)sulfanyl]methyl}pyrimidine-2,4-diamine

Database identifiers

CAS: 651359-45-4
PubChem CID: 516693
DTXSID: DTXSID90333672
ChEMBL: CHEMBL425152

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 314

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