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

C13H21Cl2N3O — CID 102757921

IUPAC2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol
SMILESCCNc1nc(NC(CC)(CC)CO)c(Cl)cc1Cl
InChIInChI=1S/C13H21Cl2N3O/c1-4-13(5-2,8-19)18-12-10(15)7-9(14)11(17-12)16-6-3/h7,19H,4-6,8H2,1-3H3,(H2,16,17,18)
InChIKeyQEZBHJRTKFPVMA-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.78
Rot. Bonds7

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

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol (PubChem CID 102757921) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol
PubChem CID102757921
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol
SMILESCCNc1nc(NC(CC)(CC)CO)c(Cl)cc1Cl
InChIInChI=1S/C13H21Cl2N3O/c1-4-13(5-2,8-19)18-12-10(15)7-9(14)11(17-12)16-6-3/h7,19H,4-6,8H2,1-3H3,(H2,16,17,18)
InChIKeyQEZBHJRTKFPVMA-UHFFFAOYSA-N
XLogP3.78
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol (CID 102757921) is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol is CCNc1nc(NC(CC)(CC)CO)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
The InChIKey is QEZBHJRTKFPVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3O/c1-4-13(5-2,8-19)18-12-10(15)7-9(14)11(17-12)16-6-3/h7,19H,4-6,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol?
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol has a molecular weight of 306.24 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 102757921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).