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

C9H15N3O2 — CID 116734539

IUPAC5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-7(14-2)8-11-5-6(4-10)9(13)12-8/h5,7H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyFGOYDRHLHXSYJS-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.33
Rot. Bonds4

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

5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 116734539) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID116734539
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-7(14-2)8-11-5-6(4-10)9(13)12-8/h5,7H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyFGOYDRHLHXSYJS-UHFFFAOYSA-N
XLogP0.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103477020
5-(aminomethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103477021
5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 69107840
2-(Methoxymethyl)-5-methylpyrimidin-4(3H)-one
CID 71351742
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167558743
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189748
2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189894
5-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 104189905
5-(aminomethyl)-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 104189947

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one (CID 116734539) is 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one is CCC(OC)c1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is FGOYDRHLHXSYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-7(14-2)8-11-5-6(4-10)9(13)12-8/h5,7H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116734539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).