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

C11H17N3O2 — CID 116734540

IUPAC5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(CN)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H17N3O2/c1-2-16-9(7-3-4-7)10-13-6-8(5-12)11(15)14-10/h6-7,9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyOTQDFDHIDOLZNR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds5

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

5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116734540) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116734540
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(CN)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H17N3O2/c1-2-16-9(7-3-4-7)10-13-6-8(5-12)11(15)14-10/h6-7,9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyOTQDFDHIDOLZNR-UHFFFAOYSA-N
XLogP0.72
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2-ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241342
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
5-(aminomethyl)-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 113558363
2-(1-methoxy-2,2-dimethylpropyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206207
2-(2-ethoxybutan-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206217
5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206228
5-(ethylaminomethyl)-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 114206232
5-(ethylaminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206237
2-(2-ethoxypropan-2-yl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206249
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one (CID 116734540) is 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is CCOC(c1ncc(CN)c(=O)[nH]1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is OTQDFDHIDOLZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-9(7-3-4-7)10-13-6-8(5-12)11(15)14-10/h6-7,9H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one?
5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116734540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).