2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine

C14H7Cl3N2O — CID 79633476

IUPAC2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
SMILESClc1ncc(Cl)c(Oc2ccc(Cl)c3ccccc23)n1
InChIInChI=1S/C14H7Cl3N2O/c15-10-5-6-12(9-4-2-1-3-8(9)10)20-13-11(16)7-18-14(17)19-13/h1-7H
InChIKeyKRTMXYIVWUEDAS-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.38
Rot. Bonds2

About 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine

2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine (PubChem CID 79633476) has the molecular formula C14H7Cl3N2O and a molecular weight of 325.58 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
PubChem CID79633476
Molecular FormulaC14H7Cl3N2O
Molecular Weight325.58 g/mol
Exact Mass323.96
IUPAC Name2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
SMILESClc1ncc(Cl)c(Oc2ccc(Cl)c3ccccc23)n1
InChIInChI=1S/C14H7Cl3N2O/c15-10-5-6-12(9-4-2-1-3-8(9)10)20-13-11(16)7-18-14(17)19-13/h1-7H
InChIKeyKRTMXYIVWUEDAS-UHFFFAOYSA-N
XLogP5.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine?
The IUPAC name of 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine (CID 79633476) is 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine?
The canonical SMILES for 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine is Clc1ncc(Cl)c(Oc2ccc(Cl)c3ccccc23)n1.
What is the InChIKey of 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine?
The InChIKey is KRTMXYIVWUEDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O/c15-10-5-6-12(9-4-2-1-3-8(9)10)20-13-11(16)7-18-14(17)19-13/h1-7H.
What are the key properties of 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine?
2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine has a molecular weight of 325.58 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine is sourced from PubChem (CID 79633476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).