3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine

C14H17Cl2N3O — CID 102756901

IUPAC3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCc2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O/c1-2-6-17-13-11(15)9-12(16)14(19-13)18-7-5-10-4-3-8-20-10/h3-4,8-9H,2,5-7H2,1H3,(H2,17,18,19)
InChIKeyYZEIMBKVMZTYBM-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.46
Rot. Bonds7

About 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 102756901) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
PubChem CID102756901
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCc2ccco2)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O/c1-2-6-17-13-11(15)9-12(16)14(19-13)18-7-5-10-4-3-8-20-10/h3-4,8-9H,2,5-7H2,1H3,(H2,17,18,19)
InChIKeyYZEIMBKVMZTYBM-UHFFFAOYSA-N
XLogP4.46
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
5-N-[2-(furan-2-yl)ethyl]-3-N-propylpyridine-3,5-diamine
CID 104533461
4-N-[2-(furan-2-yl)ethyl]-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80781292
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955
3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106424413
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 113334246

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine (CID 102756901) is 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCCc2ccco2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is YZEIMBKVMZTYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-2-6-17-13-11(15)9-12(16)14(19-13)18-7-5-10-4-3-8-20-10/h3-4,8-9H,2,5-7H2,1H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 314.22 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102756901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).