4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine

C17H27ClN2O — CID 80939756

IUPAC4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C17H27ClN2O/c1-5-6-16-19-15(18)10-17(20-16)21-14-9-12(4)7-8-13(14)11(2)3/h10-14H,5-9H2,1-4H3
InChIKeyKUOBPXUXROKEEX-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.92
Rot. Bonds5

About 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine

4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine (PubChem CID 80939756) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine
PubChem CID80939756
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OC2CC(C)CCC2C(C)C)n1
InChIInChI=1S/C17H27ClN2O/c1-5-6-16-19-15(18)10-17(20-16)21-14-9-12(4)7-8-13(14)11(2)3/h10-14H,5-9H2,1-4H3
InChIKeyKUOBPXUXROKEEX-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
CID 80944444
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-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine (CID 80939756) is 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine is CCCc1nc(Cl)cc(OC2CC(C)CCC2C(C)C)n1.
What is the InChIKey of 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine?
The InChIKey is KUOBPXUXROKEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-5-6-16-19-15(18)10-17(20-16)21-14-9-12(4)7-8-13(14)11(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine?
4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine has a molecular weight of 310.87 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine is sourced from PubChem (CID 80939756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).