3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine

C12H19N3O — CID 79465433

IUPAC3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
SMILESCc1cc(OC2CCCC(N)C2)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-8-6-12(15-9(2)14-8)16-11-5-3-4-10(13)7-11/h6,10-11H,3-5,7,13H2,1-2H3
InChIKeyXLRTWGYZCVAXQW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds2

About 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine

3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine (PubChem CID 79465433) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
PubChem CID79465433
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
SMILESCc1cc(OC2CCCC(N)C2)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-8-6-12(15-9(2)14-8)16-11-5-3-4-10(13)7-11/h6,10-11H,3-5,7,13H2,1-2H3
InChIKeyXLRTWGYZCVAXQW-UHFFFAOYSA-N
XLogP1.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine?
The IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine (CID 79465433) is 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine?
The canonical SMILES for 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine is Cc1cc(OC2CCCC(N)C2)nc(C)n1.
What is the InChIKey of 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine?
The InChIKey is XLRTWGYZCVAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-6-12(15-9(2)14-8)16-11-5-3-4-10(13)7-11/h6,10-11H,3-5,7,13H2,1-2H3.
What are the key properties of 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine?
3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 79465433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).