4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine

C16H13ClN2O — CID 80944144

IUPAC4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
SMILESCCc1nc(Cl)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C16H13ClN2O/c1-2-15-18-14(17)10-16(19-15)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3
InChIKeyCOZJMRQXMKFSGT-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine

4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine (PubChem CID 80944144) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
PubChem CID80944144
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
SMILESCCc1nc(Cl)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C16H13ClN2O/c1-2-15-18-14(17)10-16(19-15)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3
InChIKeyCOZJMRQXMKFSGT-UHFFFAOYSA-N
XLogP4.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
2-chloro-6-naphthalen-1-yloxypyridin-4-amine
CID 56990425
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
CID 80943851
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine (CID 80944144) is 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine is CCc1nc(Cl)cc(Oc2cccc3ccccc23)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine?
The InChIKey is COZJMRQXMKFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-2-15-18-14(17)10-16(19-15)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine?
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine has a molecular weight of 284.75 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine is sourced from PubChem (CID 80944144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).