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

C13H21N3O2 — CID 116782625

IUPAC5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CN)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-18-11(9-5-3-2-4-6-9)12-15-8-10(7-14)13(17)16-12/h8-9,11H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyOLAVGMLXONIMCB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds4

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

5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116782625) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116782625
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(CN)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-18-11(9-5-3-2-4-6-9)12-15-8-10(7-14)13(17)16-12/h8-9,11H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyOLAVGMLXONIMCB-UHFFFAOYSA-N
XLogP1.50
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
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-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
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019
5-(aminomethyl)-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116734533
5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 116734534
5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116734540
5-(aminomethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116734541

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 116782625) is 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1ncc(CN)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is OLAVGMLXONIMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-11(9-5-3-2-4-6-9)12-15-8-10(7-14)13(17)16-12/h8-9,11H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116782625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).