2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

C12H19Cl2N3O — CID 106258224

IUPAC2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-3-12(4-2,7-18)6-16-11-9(14)5-8(13)10(15)17-11/h5,18H,3-4,6-7H2,1-2H3,(H3,15,16,17)
InChIKeyHVFZNZPTUBFHMR-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.18
Rot. Bonds6

About 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106258224) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106258224
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-3-12(4-2,7-18)6-16-11-9(14)5-8(13)10(15)17-11/h5,18H,3-4,6-7H2,1-2H3,(H3,15,16,17)
InChIKeyHVFZNZPTUBFHMR-UHFFFAOYSA-N
XLogP3.18
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 102758876
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
1-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248982
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279
4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
CID 106847028
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257443
2-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258482
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 114157090

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (CID 106258224) is 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is HVFZNZPTUBFHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O/c1-3-12(4-2,7-18)6-16-11-9(14)5-8(13)10(15)17-11/h5,18H,3-4,6-7H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 292.21 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106258224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).