6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine

C15H25N3O2 — CID 114342919

IUPAC6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)(C)CC2)nc(COC)n1
InChIInChI=1S/C15H25N3O2/c1-15(2)7-5-11(6-8-15)20-14-9-12(16-3)17-13(18-14)10-19-4/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyUCKZRAIPVCPXGX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds5

About 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine

6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 114342919) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID114342919
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)(C)CC2)nc(COC)n1
InChIInChI=1S/C15H25N3O2/c1-15(2)7-5-11(6-8-15)20-14-9-12(16-3)17-13(18-14)10-19-4/h9,11H,5-8,10H2,1-4H3,(H,16,17,18)
InChIKeyUCKZRAIPVCPXGX-UHFFFAOYSA-N
XLogP3.01
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 114342919) is 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(OC2CCC(C)(C)CC2)nc(COC)n1.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is UCKZRAIPVCPXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2)7-5-11(6-8-15)20-14-9-12(16-3)17-13(18-14)10-19-4/h9,11H,5-8,10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 279.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohexyl)oxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114342919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).