4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine

C13H21N3O — CID 80880904

IUPAC4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(OCC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-15-13(14-2)16-12(10)17-9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyBLDPWSNEVRIKPK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds4

About 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine

4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine (PubChem CID 80880904) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine
PubChem CID80880904
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(OCC2CCCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-15-13(14-2)16-12(10)17-9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyBLDPWSNEVRIKPK-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine (CID 80880904) is 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(OCC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is BLDPWSNEVRIKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-15-13(14-2)16-12(10)17-9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine?
4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80880904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).