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

C9H15N3O2 — CID 106815832

IUPAC5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOCCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-14-4-3-8-11-6-7(5-10)9(13)12-8/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyLLPTWFGETSBCHU-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.19
Rot. Bonds5

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

5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one (PubChem CID 106815832) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
PubChem CID106815832
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
SMILESCCOCCc1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-14-4-3-8-11-6-7(5-10)9(13)12-8/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyLLPTWFGETSBCHU-UHFFFAOYSA-N
XLogP-0.19
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
5-(Ethoxymethyl)-2-methylpyrimidin-4(3h)-one
CID 224568
5-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151251
5-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103151252
2-[2-(2,2-difluoroethoxy)ethyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206255
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
5-(Aminomethyl)-2-ethyl-4(3H)-pyrimidinone
CID 33741805
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
N-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]formamide
CID 71758624
Ethyl 2-(2-aminoethyl)-4-hydroxypyrimidine-5-carboxylate hydrochloride
CID 72211675
ethyl 2-(2-aminoethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 72211676

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one (CID 106815832) is 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one is CCOCCc1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is LLPTWFGETSBCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-14-4-3-8-11-6-7(5-10)9(13)12-8/h6H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 106815832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).