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

C13H21N3O — CID 114342901

IUPAC6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)(C)CC2)ncn1
InChIInChI=1S/C13H21N3O/c1-13(2)6-4-10(5-7-13)17-12-8-11(14-3)15-9-16-12/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyOEDNEIQZKFHWTM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.87
Rot. Bonds3

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

6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine (PubChem CID 114342901) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
PubChem CID114342901
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
SMILESCNc1cc(OC2CCC(C)(C)CC2)ncn1
InChIInChI=1S/C13H21N3O/c1-13(2)6-4-10(5-7-13)17-12-8-11(14-3)15-9-16-12/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyOEDNEIQZKFHWTM-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.87
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-methylpyrimidin-4-amine?
The IUPAC name of 6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine (CID 114342901) is 6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine is CNc1cc(OC2CCC(C)(C)CC2)ncn1.
What is the InChIKey of 6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine?
The InChIKey is OEDNEIQZKFHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2)6-4-10(5-7-13)17-12-8-11(14-3)15-9-16-12/h8-10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine?
6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.87, 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-methylpyrimidin-4-amine is sourced from PubChem (CID 114342901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).