6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine

C15H25N3O — CID 114342954

IUPAC6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(OC2CCC(C)(C)CC2)c1C
InChIInChI=1S/C15H25N3O/c1-10-13(16-5)17-11(2)18-14(10)19-12-6-8-15(3,4)9-7-12/h12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyWKCVXXOXWGMKOW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.48
Rot. Bonds3

About 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine

6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 114342954) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
PubChem CID114342954
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(OC2CCC(C)(C)CC2)c1C
InChIInChI=1S/C15H25N3O/c1-10-13(16-5)17-11(2)18-14(10)19-12-6-8-15(3,4)9-7-12/h12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyWKCVXXOXWGMKOW-UHFFFAOYSA-N
XLogP3.48
TPSA47.04 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 ≤ 53.48
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-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine (CID 114342954) is 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(OC2CCC(C)(C)CC2)c1C.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is WKCVXXOXWGMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10-13(16-5)17-11(2)18-14(10)19-12-6-8-15(3,4)9-7-12/h12H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine?
6-(4,4-dimethylcyclohexyl)oxy-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.48, 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-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 114342954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).