4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine

C16H25ClN2O — CID 80944444

IUPAC4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
SMILESCCc1nc(Cl)cc(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H25ClN2O/c1-5-15-18-14(17)9-16(19-15)20-13-8-11(4)6-7-12(13)10(2)3/h9-13H,5-8H2,1-4H3
InChIKeyAWMRHDOHUUEGIZ-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine

4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine (PubChem CID 80944444) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
PubChem CID80944444
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
SMILESCCc1nc(Cl)cc(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H25ClN2O/c1-5-15-18-14(17)9-16(19-15)20-13-8-11(4)6-7-12(13)10(2)3/h9-13H,5-8H2,1-4H3
InChIKeyAWMRHDOHUUEGIZ-UHFFFAOYSA-N
XLogP4.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine
CID 80939756
6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
CID 43330212
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80843630
1-(chloromethyl)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 178071017
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
CID 80859465
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
6-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine-4-carbothioamide
CID 107548365
2-(chloromethyl)-5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazole
CID 80619230
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
CID 55195389
2-chloro-4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 59203893
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine (CID 80944444) is 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine is CCc1nc(Cl)cc(OC2CC(C)CCC2C(C)C)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
The InChIKey is AWMRHDOHUUEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-15-18-14(17)9-16(19-15)20-13-8-11(4)6-7-12(13)10(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine?
4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine has a molecular weight of 296.84 g/mol, XLogP of 4.53, 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-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 80944444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).