5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one

C7H11N3O2 — CID 83873868

IUPAC5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one
SMILESCOc1[nH]c(=O)ncc1CCN
InChIInChI=1S/C7H11N3O2/c1-12-6-5(2-3-8)4-9-7(11)10-6/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyAZMXYPBUUVRFEN-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.72
Rot. Bonds3

About 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one

5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one (PubChem CID 83873868) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one
PubChem CID83873868
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one
SMILESCOc1[nH]c(=O)ncc1CCN
InChIInChI=1S/C7H11N3O2/c1-12-6-5(2-3-8)4-9-7(11)10-6/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyAZMXYPBUUVRFEN-UHFFFAOYSA-N
XLogP-0.72
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-5-fluoro-1H-pyrimidin-2-one
CID 165357975
methyl (E)-5-(6-methoxy-2-oxo-1H-pyrimidin-5-yl)pent-4-enoate
CID 11447756
5-(2-aminoethyl)-4-methoxypyrimidin-2-amine
CID 83851815
6-amino-5-methoxy-1H-pyrimidin-2-one
CID 15422742
5-(aminomethyl)-6-methylsulfonyl-1H-pyrimidin-2-one
CID 133057501
6-amino-5-(4-aminobut-2-enyl)-1H-pyrimidin-2-one
CID 56981499
2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95466138
6-(2-aminoethyl)-1,2,3-trimethylimidazo[1,2-a]pyrimidin-5-one
CID 82616358
2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
CID 173196682
5-(2-aminoethylamino)-6-methyl-1H-pyrimidin-2-one
CID 117211408
6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
CID 82657252
5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
CID 13065766

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one (CID 83873868) is 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one is COc1[nH]c(=O)ncc1CCN.
What is the InChIKey of 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one?
The InChIKey is AZMXYPBUUVRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-6-5(2-3-8)4-9-7(11)10-6/h4H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one?
5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6-methoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 83873868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).