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

C13H21N3O2 — CID 114586525

IUPAC4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9-15-12(17)6-13(16-9)18-8-11-5-3-2-4-10(11)7-14/h6,10-11H,2-5,7-8,14H2,1H3,(H,15,16,17)
InChIKeyHMQFMIISWGLTEE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.22
Rot. Bonds4

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

4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586525) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID114586525
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9-15-12(17)6-13(16-9)18-8-11-5-3-2-4-10(11)7-14/h6,10-11H,2-5,7-8,14H2,1H3,(H,15,16,17)
InChIKeyHMQFMIISWGLTEE-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one (CID 114586525) is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC2CCCCC2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HMQFMIISWGLTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-15-12(17)6-13(16-9)18-8-11-5-3-2-4-10(11)7-14/h6,10-11H,2-5,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.22, 4 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).