1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol

C12H19Cl2N3O — CID 107159718

IUPAC1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCNc1nc(NCC(O)CC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-7(2)4-8(18)6-16-12-10(14)5-9(13)11(15-3)17-12/h5,7-8,18H,4,6H2,1-3H3,(H2,15,16,17)
InChIKeyZLCREMKJVSIYHM-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.25
Rot. Bonds6

About 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol

1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol (PubChem CID 107159718) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol
PubChem CID107159718
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCNc1nc(NCC(O)CC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-7(2)4-8(18)6-16-12-10(14)5-9(13)11(15-3)17-12/h5,7-8,18H,4,6H2,1-3H3,(H2,15,16,17)
InChIKeyZLCREMKJVSIYHM-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol (CID 107159718) is 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol is CNc1nc(NCC(O)CC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The InChIKey is ZLCREMKJVSIYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O/c1-7(2)4-8(18)6-16-12-10(14)5-9(13)11(15-3)17-12/h5,7-8,18H,4,6H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol?
1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).