5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one

C11H19N3O2 — CID 116734534

IUPAC5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-5-9(16-4-2)10-13-7-8(6-12)11(15)14-10/h7,9H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyJASNCCSNDIFZCE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.11
Rot. Bonds6

About 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one (PubChem CID 116734534) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
PubChem CID116734534
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-3-5-9(16-4-2)10-13-7-8(6-12)11(15)14-10/h7,9H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyJASNCCSNDIFZCE-UHFFFAOYSA-N
XLogP1.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 82507785
5-(aminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 104189929
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947
5-(aminomethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 104189963
5-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 104189964
5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
5-(aminomethyl)-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 104189970
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973
5-(aminomethyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 104189995
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one (CID 116734534) is 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one is CCCC(OCC)c1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
The InChIKey is JASNCCSNDIFZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-9(16-4-2)10-13-7-8(6-12)11(15)14-10/h7,9H,3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(1-ethoxybutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116734534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).