3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine

C15H16Cl2FN3 — CID 102758087

IUPAC3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC(C)Cc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2FN3/c1-9(7-10-3-5-11(18)6-4-10)20-15-13(17)8-12(16)14(19-2)21-15/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21)
InChIKeyRCRONFZKWGJVEV-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.61
Rot. Bonds5

About 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine (PubChem CID 102758087) has the molecular formula C15H16Cl2FN3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
PubChem CID102758087
Molecular FormulaC15H16Cl2FN3
Molecular Weight328.22 g/mol
Exact Mass327.07
IUPAC Name3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC(C)Cc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2FN3/c1-9(7-10-3-5-11(18)6-4-10)20-15-13(17)8-12(16)14(19-2)21-15/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21)
InChIKeyRCRONFZKWGJVEV-UHFFFAOYSA-N
XLogP4.61
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine (CID 102758087) is 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine is CNc1nc(NC(C)Cc2ccc(F)cc2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine?
The InChIKey is RCRONFZKWGJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FN3/c1-9(7-10-3-5-11(18)6-4-10)20-15-13(17)8-12(16)14(19-2)21-15/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine has a molecular weight of 328.22 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102758087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).