6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine

C15H25N3O — CID 114342910

IUPAC6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H25N3O/c1-5-12-17-13(16)10(2)14(18-12)19-11-6-8-15(3,4)9-7-11/h11H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyLHFTXEJKBXTLLF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds3

About 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine

6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 114342910) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID114342910
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(OC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H25N3O/c1-5-12-17-13(16)10(2)14(18-12)19-11-6-8-15(3,4)9-7-11/h11H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyLHFTXEJKBXTLLF-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine (CID 114342910) is 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(OC2CCC(C)(C)CC2)n1.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is LHFTXEJKBXTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12-17-13(16)10(2)14(18-12)19-11-6-8-15(3,4)9-7-11/h11H,5-9H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine?
6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexyl)oxy-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114342910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).