2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine

C9H12Cl2N2O — CID 175445807

IUPAC2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine
SMILESCC(C)(C)ONc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H12Cl2N2O/c1-9(2,3)14-13-6-4-7(10)12-8(11)5-6/h4-5H,1-3H3,(H,12,13)
InChIKeyCZRYNWQCRXXGPX-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.53
Rot. Bonds2

About 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine

2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine (PubChem CID 175445807) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine
PubChem CID175445807
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine
SMILESCC(C)(C)ONc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H12Cl2N2O/c1-9(2,3)14-13-6-4-7(10)12-8(11)5-6/h4-5H,1-3H3,(H,12,13)
InChIKeyCZRYNWQCRXXGPX-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 138469118
4,6-dichloro-N-methoxypyrimidin-2-amine
CID 19103931
1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea
CID 3334916
2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
CID 107856458
tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate
CID 177331060
4-N-(1,2-benzothiazol-5-yl)-6-chloro-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 138469320
4-(4-tert-butylphenyl)-2,6-dichloropyridine
CID 170341950
2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine
CID 130643026
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline
CID 82581132
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
CID 80738859

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?
The IUPAC name of 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine (CID 175445807) is 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?
The canonical SMILES for 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine is CC(C)(C)ONc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?
The InChIKey is CZRYNWQCRXXGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-9(2,3)14-13-6-4-7(10)12-8(11)5-6/h4-5H,1-3H3,(H,12,13).
What are the key properties of 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?
2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine has a molecular weight of 235.11 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine is sourced from PubChem (CID 175445807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).