4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine

C15H17ClN2O — CID 80943842

IUPAC4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
SMILESCCc1nc(Cl)cc(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C15H17ClN2O/c1-4-14-17-13(16)9-15(18-14)19-12-7-5-6-11(8-12)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZUMQICGYKWOUBT-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.61
Rot. Bonds4

About 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine

4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine (PubChem CID 80943842) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
PubChem CID80943842
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
SMILESCCc1nc(Cl)cc(Oc2cccc(C(C)C)c2)n1
InChIInChI=1S/C15H17ClN2O/c1-4-14-17-13(16)9-15(18-14)19-12-7-5-6-11(8-12)10(2)3/h5-10H,4H2,1-3H3
InChIKeyZUMQICGYKWOUBT-UHFFFAOYSA-N
XLogP4.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766686
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
CID 80943114
[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
CID 61255662
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176
2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80989458
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
N-ethyl-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864399
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine (CID 80943842) is 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine is CCc1nc(Cl)cc(Oc2cccc(C(C)C)c2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine?
The InChIKey is ZUMQICGYKWOUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-14-17-13(16)9-15(18-14)19-12-7-5-6-11(8-12)10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine?
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.61, 4 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-(3-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 80943842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).