1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol

C12H19Cl2N3O — CID 102759945

IUPAC1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
SMILESCCNc1nc(NCC(O)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-4-15-11-8(13)5-9(14)12(17-11)16-6-10(18)7(2)3/h5,7,10,18H,4,6H2,1-3H3,(H2,15,16,17)
InChIKeyBQHYXVANFNNHKC-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.25
Rot. Bonds6

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

1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol (PubChem CID 102759945) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
PubChem CID102759945
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
SMILESCCNc1nc(NCC(O)C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O/c1-4-15-11-8(13)5-9(14)12(17-11)16-6-10(18)7(2)3/h5,7,10,18H,4,6H2,1-3H3,(H2,15,16,17)
InChIKeyBQHYXVANFNNHKC-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

Analyze 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol with MolForge

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Related Compounds

3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939
3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
CID 102759850
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
CID 102759622
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159718
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol (CID 102759945) is 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol is CCNc1nc(NCC(O)C(C)C)c(Cl)cc1Cl.
What is the InChIKey of 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol?
The InChIKey is BQHYXVANFNNHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O/c1-4-15-11-8(13)5-9(14)12(17-11)16-6-10(18)7(2)3/h5,7,10,18H,4,6H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol?
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-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-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol is sourced from PubChem (CID 102759945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).