2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine

C13H21N3O2 — CID 113395468

IUPAC2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine
SMILESCCOc1cc(C)nc(OC2CCCCC2N)n1
InChIInChI=1S/C13H21N3O2/c1-3-17-12-8-9(2)15-13(16-12)18-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3
InChIKeyZZRRTWJOGDZRLR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine

2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine (PubChem CID 113395468) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine
PubChem CID113395468
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine
SMILESCCOc1cc(C)nc(OC2CCCCC2N)n1
InChIInChI=1S/C13H21N3O2/c1-3-17-12-8-9(2)15-13(16-12)18-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3
InChIKeyZZRRTWJOGDZRLR-UHFFFAOYSA-N
XLogP1.83
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
The IUPAC name of 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine (CID 113395468) is 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
The canonical SMILES for 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine is CCOc1cc(C)nc(OC2CCCCC2N)n1.
What is the InChIKey of 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
The InChIKey is ZZRRTWJOGDZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-17-12-8-9(2)15-13(16-12)18-11-7-5-4-6-10(11)14/h8,10-11H,3-7,14H2,1-2H3.
What are the key properties of 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine?
2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-6-methylpyrimidin-2-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 113395468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).