2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine

C14H23N3O — CID 113395392

IUPAC2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine
SMILESCCc1cc(OC2CCCCCC2N)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-3-11-9-14(17-10(2)16-11)18-13-8-6-4-5-7-12(13)15/h9,12-13H,3-8,15H2,1-2H3
InChIKeyGPPBPSNTWMODNW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.39
Rot. Bonds3

About 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine

2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine (PubChem CID 113395392) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine.

Molecular Properties

Compound Name2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine
PubChem CID113395392
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine
SMILESCCc1cc(OC2CCCCCC2N)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-3-11-9-14(17-10(2)16-11)18-13-8-6-4-5-7-12(13)15/h9,12-13H,3-8,15H2,1-2H3
InChIKeyGPPBPSNTWMODNW-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{2-[(2-Methyl-6-propylpyrimidin-4-YL)oxy]hex-5-EN-1-YL}-1,4-oxazepane
CID 56911639
4-Ethoxy-6-ethylpyrimidin-2-amine
CID 119085413
1-[2-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
CID 162524398
(1R)-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanamine
CID 175830850
N-[(1E)-2-(6-ethyl-2-methylpyrimidin-4-yl)oxypenta-1,3,4-trienyl]-1,1,1-trifluoropropan-2-imine
CID 176690909
3,3-difluoro-1-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]propan-1-amine
CID 178036041
2-[6-Ethoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanamine
CID 83896400
3-[6-Methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-1-amine
CID 83896401
1-[6-Methoxy-2-(trifluoromethyl)pyrimidin-4-yl]propan-2-amine
CID 83896403
2-(6-Ethyl-5-fluoropyrimidin-4-yl)oxycycloheptan-1-amine
CID 108152417
4-cycloheptyloxy-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566411
4-Ethyl-6-piperidin-4-yloxypyrimidine
CID 62342445

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine?
The IUPAC name of 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine (CID 113395392) is 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine.
What is the SMILES notation for 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine?
The canonical SMILES for 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine is CCc1cc(OC2CCCCCC2N)nc(C)n1.
What is the InChIKey of 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine?
The InChIKey is GPPBPSNTWMODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-11-9-14(17-10(2)16-11)18-13-8-6-4-5-7-12(13)15/h9,12-13H,3-8,15H2,1-2H3.
What are the key properties of 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine?
2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-methylpyrimidin-4-yl)oxycycloheptan-1-amine is sourced from PubChem (CID 113395392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).