5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one

C14H23N3O2 — CID 116782635

IUPAC5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(CN)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-19-12(10-6-4-3-5-7-10)13-16-9-11(8-15)14(18)17-13/h9-10,12H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyMHLJHVDAEIAYMD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.89
Rot. Bonds5

About 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one

5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116782635) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116782635
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(CN)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-19-12(10-6-4-3-5-7-10)13-16-9-11(8-15)14(18)17-13/h9-10,12H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyMHLJHVDAEIAYMD-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72897684
5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
5-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104253721
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-[cyclohexyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 113559578
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
5-(aminomethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113563478
2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204934
5-(chloromethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114205222
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206191
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one (CID 116782635) is 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one is CCOC(c1ncc(CN)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is MHLJHVDAEIAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-19-12(10-6-4-3-5-7-10)13-16-9-11(8-15)14(18)17-13/h9-10,12H,2-8,15H2,1H3,(H,16,17,18).
What are the key properties of 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116782635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).