1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea

C14H16Cl2N6O — CID 164621155

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea
SMILESCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C
InChIInChI=1S/C14H16Cl2N6O/c1-8-4-13(17-7-10(8)22(2)3)20-21-14(23)18-9-5-11(15)19-12(16)6-9/h4-7H,1-3H3,(H,17,20)(H2,18,19,21,23)
InChIKeyXUVLLHQXENRQMM-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.31
Rot. Bonds4

About 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea

1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea (PubChem CID 164621155) has the molecular formula C14H16Cl2N6O and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea
PubChem CID164621155
Molecular FormulaC14H16Cl2N6O
Molecular Weight355.23 g/mol
Exact Mass354.08
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea
SMILESCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C
InChIInChI=1S/C14H16Cl2N6O/c1-8-4-13(17-7-10(8)22(2)3)20-21-14(23)18-9-5-11(15)19-12(16)6-9/h4-7H,1-3H3,(H,17,20)(H2,18,19,21,23)
InChIKeyXUVLLHQXENRQMM-UHFFFAOYSA-N
XLogP3.31
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea 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 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea (CID 164621155) is 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea is Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea?
The InChIKey is XUVLLHQXENRQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6O/c1-8-4-13(17-7-10(8)22(2)3)20-21-14(23)18-9-5-11(15)19-12(16)6-9/h4-7H,1-3H3,(H,17,20)(H2,18,19,21,23).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea?
1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea has a molecular weight of 355.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(dimethylamino)-4-methyl-2-pyridinyl]amino]urea is sourced from PubChem (CID 164621155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).