3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine

C13H19Cl2N3 — CID 102755904

IUPAC3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCC2CCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-2-6-16-12-10(14)7-11(15)13(18-12)17-8-9-4-3-5-9/h7,9H,2-6,8H2,1H3,(H2,16,17,18)
InChIKeyKHAWRUUFBYDXFN-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.42
Rot. Bonds6

About 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102755904) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102755904
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCC2CCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3/c1-2-6-16-12-10(14)7-11(15)13(18-12)17-8-9-4-3-5-9/h7,9H,2-6,8H2,1H3,(H2,16,17,18)
InChIKeyKHAWRUUFBYDXFN-UHFFFAOYSA-N
XLogP4.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(2-cyclopropylethoxy)-N-propylpyridin-2-amine
CID 106207557
3,5-dichloro-2-N-methyl-6-N-[(4-methylcyclohexyl)methyl]pyridine-2,6-diamine
CID 102758204
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine
CID 102760875
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756272
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine (CID 102755904) is 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCC2CCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is KHAWRUUFBYDXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-2-6-16-12-10(14)7-11(15)13(18-12)17-8-9-4-3-5-9/h7,9H,2-6,8H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 288.22 g/mol, XLogP of 4.42, 6 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-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).