3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine

C14H15Cl2N3 — CID 102754630

IUPAC3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
SMILESCC(C)c1cccc(Nc2nc(N)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H15Cl2N3/c1-8(2)9-4-3-5-10(6-9)18-14-12(16)7-11(15)13(17)19-14/h3-8H,1-2H3,(H3,17,18,19)
InChIKeyNYIAOAILEMADHS-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.84
Rot. Bonds3

About 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine

3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine (PubChem CID 102754630) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
PubChem CID102754630
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
SMILESCC(C)c1cccc(Nc2nc(N)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H15Cl2N3/c1-8(2)9-4-3-5-10(6-9)18-14-12(16)7-11(15)13(17)19-14/h3-8H,1-2H3,(H3,17,18,19)
InChIKeyNYIAOAILEMADHS-UHFFFAOYSA-N
XLogP4.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
3,5-dichloro-6-N-(3,4-difluorophenyl)pyridine-2,6-diamine
CID 102755062
2-chloro-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 60726103
3-nitro-2-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 80759844
3,5-dichloro-6-N-(4-fluorophenyl)pyridine-2,6-diamine
CID 102755142
6-N-(4-bromophenyl)-3,5-dichloropyridine-2,6-diamine
CID 102755131
3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
CID 102756297
6-chloro-5-methyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734214
4-chloro-1-N-(3-propan-2-ylphenyl)benzene-1,2-diamine
CID 29067664

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine (CID 102754630) is 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine is CC(C)c1cccc(Nc2nc(N)c(Cl)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine?
The InChIKey is NYIAOAILEMADHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-8(2)9-4-3-5-10(6-9)18-14-12(16)7-11(15)13(17)19-14/h3-8H,1-2H3,(H3,17,18,19).
What are the key properties of 3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine has a molecular weight of 296.20 g/mol, XLogP of 4.84, 3 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-propan-2-ylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 102754630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).