4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine

C16H13ClN4O — CID 133384185

IUPAC4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine
SMILESCc1nc(-c2ccncc2)nc(Oc2ccc(Cl)nc2)c1C
InChIInChI=1S/C16H13ClN4O/c1-10-11(2)20-15(12-5-7-18-8-6-12)21-16(10)22-13-3-4-14(17)19-9-13/h3-9H,1-2H3
InChIKeyGFKSYPLEVYREGO-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.00
Rot. Bonds3

About 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine

4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine (PubChem CID 133384185) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine
PubChem CID133384185
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine
SMILESCc1nc(-c2ccncc2)nc(Oc2ccc(Cl)nc2)c1C
InChIInChI=1S/C16H13ClN4O/c1-10-11(2)20-15(12-5-7-18-8-6-12)21-16(10)22-13-3-4-14(17)19-9-13/h3-9H,1-2H3
InChIKeyGFKSYPLEVYREGO-UHFFFAOYSA-N
XLogP4.00
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine (CID 133384185) is 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine is Cc1nc(-c2ccncc2)nc(Oc2ccc(Cl)nc2)c1C.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine?
The InChIKey is GFKSYPLEVYREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-10-11(2)20-15(12-5-7-18-8-6-12)21-16(10)22-13-3-4-14(17)19-9-13/h3-9H,1-2H3.
What are the key properties of 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine?
4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine has a molecular weight of 312.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)oxy]-5,6-dimethyl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 133384185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).