2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine

C13H21N3O — CID 80654838

IUPAC2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-12(14-2)16-13(15-10)9-17-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyVAWLRMZTYWPQRZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds4

About 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine

2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 80654838) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID80654838
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-12(14-2)16-13(15-10)9-17-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyVAWLRMZTYWPQRZ-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine (CID 80654838) is 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is VAWLRMZTYWPQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-12(14-2)16-13(15-10)9-17-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80654838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).