4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine

C13H19ClN2O — CID 63734500

IUPAC4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine
SMILESCc1nc(Cl)c(C)c(OC2CCCC(C)C2)n1
InChIInChI=1S/C13H19ClN2O/c1-8-5-4-6-11(7-8)17-13-9(2)12(14)15-10(3)16-13/h8,11H,4-7H2,1-3H3
InChIKeyXLQMLCHQKFUSET-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.70
Rot. Bonds2

About 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine

4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine (PubChem CID 63734500) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine
PubChem CID63734500
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine
SMILESCc1nc(Cl)c(C)c(OC2CCCC(C)C2)n1
InChIInChI=1S/C13H19ClN2O/c1-8-5-4-6-11(7-8)17-13-9(2)12(14)15-10(3)16-13/h8,11H,4-7H2,1-3H3
InChIKeyXLQMLCHQKFUSET-UHFFFAOYSA-N
XLogP3.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine (CID 63734500) is 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine is Cc1nc(Cl)c(C)c(OC2CCCC(C)C2)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine?
The InChIKey is XLQMLCHQKFUSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8-5-4-6-11(7-8)17-13-9(2)12(14)15-10(3)16-13/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine?
4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 63734500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).