3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol

C12H19Cl2N3O — CID 106179085

IUPAC3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-4-12(2,5-6-18)17-11-9(14)7-8(13)10(15-3)16-11/h7,18H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyUELHMDKTRWRGCX-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.39
Rot. Bonds6

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

3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol (PubChem CID 106179085) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol
PubChem CID106179085
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(NC)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-4-12(2,5-6-18)17-11-9(14)7-8(13)10(15-3)16-11/h7,18H,4-6H2,1-3H3,(H2,15,16,17)
InChIKeyUELHMDKTRWRGCX-UHFFFAOYSA-N
XLogP3.39
TPSA57.18 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 ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol (CID 106179085) is 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1nc(NC)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol?
The InChIKey is UELHMDKTRWRGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O/c1-4-12(2,5-6-18)17-11-9(14)7-8(13)10(15-3)16-11/h7,18H,4-6H2,1-3H3,(H2,15,16,17).
What are the key properties of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol?
3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol has a molecular weight of 292.21 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106179085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).