4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine

C15H17ClN2O — CID 80936661

IUPAC4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccccc2OC(C)C)n1
InChIInChI=1S/C15H17ClN2O/c1-4-15-17-12(9-14(16)18-15)11-7-5-6-8-13(11)19-10(2)3/h5-10H,4H2,1-3H3
InChIKeyVUBBVYMDQYGQBX-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.15
Rot. Bonds4

About 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine

4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine (PubChem CID 80936661) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
PubChem CID80936661
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccccc2OC(C)C)n1
InChIInChI=1S/C15H17ClN2O/c1-4-15-17-12(9-14(16)18-15)11-7-5-6-8-13(11)19-10(2)3/h5-10H,4H2,1-3H3
InChIKeyVUBBVYMDQYGQBX-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80946930
4-chloro-2-cyclopropyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80952311
4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
CID 80936131
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80936220
4-ethoxy-2-(2-propan-2-yloxyphenyl)pyridine
CID 159838337
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399
4-(5-bromo-2-propan-2-yloxyphenyl)-6-chloropyrimidin-2-amine
CID 86004376
4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
CID 80946367
4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine
CID 103341689
4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
CID 80935506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine (CID 80936661) is 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine is CCc1nc(Cl)cc(-c2ccccc2OC(C)C)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
The InChIKey is VUBBVYMDQYGQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-15-17-12(9-14(16)18-15)11-7-5-6-8-13(11)19-10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine?
4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.15, 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-(2-propan-2-yloxyphenyl)pyrimidine is sourced from PubChem (CID 80936661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).