[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine

C13H21N3O3 — CID 115355544

IUPAC[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine
SMILESCOc1cc(OC)nc(OC2CCCCC2CN)n1
InChIInChI=1S/C13H21N3O3/c1-17-11-7-12(18-2)16-13(15-11)19-10-6-4-3-5-9(10)8-14/h7,9-10H,3-6,8,14H2,1-2H3
InChIKeyIMLLIJAKQSFBET-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.39
Rot. Bonds5

About [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine

[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine (PubChem CID 115355544) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine
PubChem CID115355544
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine
SMILESCOc1cc(OC)nc(OC2CCCCC2CN)n1
InChIInChI=1S/C13H21N3O3/c1-17-11-7-12(18-2)16-13(15-11)19-10-6-4-3-5-9(10)8-14/h7,9-10H,3-6,8,14H2,1-2H3
InChIKeyIMLLIJAKQSFBET-UHFFFAOYSA-N
XLogP1.39
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine?
The IUPAC name of [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine (CID 115355544) is [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine.
What is the SMILES notation for [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine?
The canonical SMILES for [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine is COc1cc(OC)nc(OC2CCCCC2CN)n1.
What is the InChIKey of [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine?
The InChIKey is IMLLIJAKQSFBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-17-11-7-12(18-2)16-13(15-11)19-10-6-4-3-5-9(10)8-14/h7,9-10H,3-6,8,14H2,1-2H3.
What are the key properties of [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine?
[2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethoxypyrimidin-2-yl)oxycyclohexyl]methanamine is sourced from PubChem (CID 115355544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).