4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine

C13H19ClN2O — CID 55230235

IUPAC4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OC1CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-9(2)11-12(14)15-8-16-13(11)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyAHBYJLMWILTTPC-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.96
Rot. Bonds3

About 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine

4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine (PubChem CID 55230235) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine
PubChem CID55230235
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OC1CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-9(2)11-12(14)15-8-16-13(11)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyAHBYJLMWILTTPC-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,4-dimethylcyclohexyl)oxy-5-propan-2-ylpyrimidine
CID 64745159
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
4-cyclohexyloxy-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138860
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
4-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propan-2-ylpyrimidine
CID 55231010
[6-(3-ethylcyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80922282
6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
CID 114101538
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208
6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80878317
(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
CID 103695133
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine (CID 55230235) is 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1OC1CCCCC1.
What is the InChIKey of 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine?
The InChIKey is AHBYJLMWILTTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)11-12(14)15-8-16-13(11)17-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine?
4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexyloxy-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55230235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).