4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine

C14H21ClN2O — CID 55228707

IUPAC4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine
SMILESCC1CCCC(Oc2ncnc(Cl)c2C(C)C)C1
InChIInChI=1S/C14H21ClN2O/c1-9(2)12-13(15)16-8-17-14(12)18-11-6-4-5-10(3)7-11/h8-11H,4-7H2,1-3H3
InChIKeyKJTYKTGZJNPRGF-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine

4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine (PubChem CID 55228707) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine
PubChem CID55228707
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine
SMILESCC1CCCC(Oc2ncnc(Cl)c2C(C)C)C1
InChIInChI=1S/C14H21ClN2O/c1-9(2)12-13(15)16-8-17-14(12)18-11-6-4-5-10(3)7-11/h8-11H,4-7H2,1-3H3
InChIKeyKJTYKTGZJNPRGF-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine (CID 55228707) is 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine is CC1CCCC(Oc2ncnc(Cl)c2C(C)C)C1.
What is the InChIKey of 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine?
The InChIKey is KJTYKTGZJNPRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)12-13(15)16-8-17-14(12)18-11-6-4-5-10(3)7-11/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine?
4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine has a molecular weight of 268.79 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylcyclohexyl)oxy-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55228707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).