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

C15H17ClN2 — CID 80936220

IUPAC4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H17ClN2/c1-4-15-17-13(9-14(16)18-15)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3
InChIKeyIEUHGBUYWZXOQQ-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.48
Rot. Bonds3

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

4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine (PubChem CID 80936220) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
PubChem CID80936220
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H17ClN2/c1-4-15-17-13(9-14(16)18-15)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3
InChIKeyIEUHGBUYWZXOQQ-UHFFFAOYSA-N
XLogP4.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80936235
4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80952817
4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
CID 80935506
4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
CID 80946367
4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine
CID 80936398
4-chloro-2,6-diethylpyrimidine
CID 43557605
4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
CID 80936573
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80936661
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
4-chloro-6-(4-ethoxyphenyl)-2-propylpyrimidine
CID 80945258
4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine
CID 103341689

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine (CID 80936220) is 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine is CCc1nc(Cl)cc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine?
The InChIKey is IEUHGBUYWZXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-4-15-17-13(9-14(16)18-15)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine?
4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine has a molecular weight of 260.77 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine is sourced from PubChem (CID 80936220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).