1-[3,4-Dichlorophenyl]-3-[4-[[3-[3-hydroxypiperidino]propyl]amino]-6-methyl-2-pyrimidinyl]guanidine

HCID 536784

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Basic information

CAS: 51386-93-7
Standard SMILES: Cc1cc(NCCCN2CCCC(O)C2)nc(N=C(N)Nc2ccc(Cl)c(Cl)c2)n1
InChIKey: JXSZNBGKLSEBAS-UHFFFAOYSA-N
Molecular formula: C20H27Cl2N7O
Average molar mass: 452.4 g/mol
Monoisotopic mass: 451.1654139

Names & identifiers

Preferred name: 1-[3,4-Dichlorophenyl]-3-[4-[[3-[3-hydroxypiperidino]propyl]amino]-6-methyl-2-pyrimidinyl]guanidine
IUPAC: 1-(3,4-dichlorophenyl)-2-[4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6-methylpyrimidin-2-yl]guanidine
English name: 1-[3,4-Dichlorophenyl]-3-[4-[[3-[3-hydroxypiperidino]propyl]amino]-6-m ethyl-2-pyrimidinyl]guanidine
Molecular formula: C20H27Cl2N7O
Molecular weight: 452.38

Names & synonyms

51386-93-7DTXSID40336855DB-2676801-[3,4-DICHLOROPHENYL ]-3-[4-[[3-[3-HYDROXYPIPERIDINO]PROPYL ]AMINO]-6-METHYL-2-PYRIMIDINYL ]GUANIDINEN-(3,4-Dichlorophenyl)-N''-(4-{[3-(3-hydroxypiperidin-1-yl)propyl]amino}-6-methylpyrimidin-2-yl)guanidine1-[3,4-Dichlorophenyl]-3-[4-[[3-[3-hydroxypiperidino]propyl]amino]-6-m ethyl-2-pyrimidinyl]guanidineGuanidine, N-(3,4-dichlorophenyl)-N'-[4-[[3-(3-hydroxy-1-piperidinyl)propyl]amino]-6-methyl-2-pyrimidinyl]-

Database identifiers

CAS: 51386-93-7
PubChem CID: 536784
DTXSID: DTXSID40336855

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 112 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 555

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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