4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine

C12H17ClN2O — CID 62483757

IUPAC4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine
SMILESCc1nc(Cl)cc(OC2CCCCC2C)n1
InChIInChI=1S/C12H17ClN2O/c1-8-5-3-4-6-10(8)16-12-7-11(13)14-9(2)15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyAGWYLAPBWADMFI-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.40
Rot. Bonds2

About 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine

4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine (PubChem CID 62483757) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine
PubChem CID62483757
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine
SMILESCc1nc(Cl)cc(OC2CCCCC2C)n1
InChIInChI=1S/C12H17ClN2O/c1-8-5-3-4-6-10(8)16-12-7-11(13)14-9(2)15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyAGWYLAPBWADMFI-UHFFFAOYSA-N
XLogP3.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine (CID 62483757) is 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine is Cc1nc(Cl)cc(OC2CCCCC2C)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
The InChIKey is AGWYLAPBWADMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-5-3-4-6-10(8)16-12-7-11(13)14-9(2)15-12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine?
4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine has a molecular weight of 240.73 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(2-methylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 62483757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).