4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one

C14H23N3O2 — CID 114586521

IUPAC4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-12-16-13(18)7-14(17-12)19-9-11-6-4-3-5-10(11)8-15/h7,10-11H,2-6,8-9,15H2,1H3,(H,16,17,18)
InChIKeyGJWNWQIGCUJLPA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.48
Rot. Bonds5

About 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one

4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114586521) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one
PubChem CID114586521
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-12-16-13(18)7-14(17-12)19-9-11-6-4-3-5-10(11)8-15/h7,10-11H,2-6,8-9,15H2,1H3,(H,16,17,18)
InChIKeyGJWNWQIGCUJLPA-UHFFFAOYSA-N
XLogP1.48
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173262
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173263
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-cyclopropyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240641
2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240647
4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240650
2-ethyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240657
4-(cyclohexylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241607
4-(cyclohexylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241608
2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103241709
4-(3,4-dimethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241721

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one (CID 114586521) is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCC2CCCCC2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GJWNWQIGCUJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-12-16-13(18)7-14(17-12)19-9-11-6-4-3-5-10(11)8-15/h7,10-11H,2-6,8-9,15H2,1H3,(H,16,17,18).
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).