3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one

C8H13N3O2 — CID 79366572

IUPAC3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCN
InChIInChI=1S/C8H13N3O2/c1-6-5-7(12)11(4-3-9)8(10-6)13-2/h5H,3-4,9H2,1-2H3
InChIKeyXOSKDFHLLTZMMN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.48
Rot. Bonds3

About 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one

3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79366572) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79366572
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCN
InChIInChI=1S/C8H13N3O2/c1-6-5-7(12)11(4-3-9)8(10-6)13-2/h5H,3-4,9H2,1-2H3
InChIKeyXOSKDFHLLTZMMN-UHFFFAOYSA-N
XLogP-0.48
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one (CID 79366572) is 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CCN.
What is the InChIKey of 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is XOSKDFHLLTZMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-7(12)11(4-3-9)8(10-6)13-2/h5H,3-4,9H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one?
3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79366572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).