3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine

C15H16Cl2FN3 — CID 102755202

IUPAC3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(C)c(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2FN3/c1-3-6-19-14-11(16)8-12(17)15(21-14)20-10-5-4-9(2)13(18)7-10/h4-5,7-8H,3,6H2,1-2H3,(H2,19,20,21)
InChIKeyYFDOEYYRVHOKPK-UHFFFAOYSA-N
MW328.22 g/mol
LogP5.40
Rot. Bonds5

About 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102755202) has the molecular formula C15H16Cl2FN3 and a molecular weight of 328.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102755202
Molecular FormulaC15H16Cl2FN3
Molecular Weight328.22 g/mol
Exact Mass327.07
IUPAC Name3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccc(C)c(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2FN3/c1-3-6-19-14-11(16)8-12(17)15(21-14)20-10-5-4-9(2)13(18)7-10/h4-5,7-8H,3,6H2,1-2H3,(H2,19,20,21)
InChIKeyYFDOEYYRVHOKPK-UHFFFAOYSA-N
XLogP5.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.22
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755080
6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
CID 102757849
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
CID 102989029
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine (CID 102755202) is 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(Nc2ccc(C)c(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is YFDOEYYRVHOKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FN3/c1-3-6-19-14-11(16)8-12(17)15(21-14)20-10-5-4-9(2)13(18)7-10/h4-5,7-8H,3,6H2,1-2H3,(H2,19,20,21).
What are the key properties of 3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 328.22 g/mol, XLogP of 5.40, 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-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).