1-(2-aminobutyl)-5-methylpyrimidin-2-one

C9H15N3O — CID 63205935

IUPAC1-(2-aminobutyl)-5-methylpyrimidin-2-one
SMILESCCC(N)Cn1cc(C)cnc1=O
InChIInChI=1S/C9H15N3O/c1-3-8(10)6-12-5-7(2)4-11-9(12)13/h4-5,8H,3,6,10H2,1-2H3
InChIKeyOOGXRNNHAVUUSY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.29
Rot. Bonds3

About 1-(2-aminobutyl)-5-methylpyrimidin-2-one

1-(2-aminobutyl)-5-methylpyrimidin-2-one (PubChem CID 63205935) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-aminobutyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-5-methylpyrimidin-2-one
PubChem CID63205935
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2-aminobutyl)-5-methylpyrimidin-2-one
SMILESCCC(N)Cn1cc(C)cnc1=O
InChIInChI=1S/C9H15N3O/c1-3-8(10)6-12-5-7(2)4-11-9(12)13/h4-5,8H,3,6,10H2,1-2H3
InChIKeyOOGXRNNHAVUUSY-UHFFFAOYSA-N
XLogP0.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(2-aminobutyl)-5-methylpyrimidin-2-one (CID 63205935) is 1-(2-aminobutyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-5-methylpyrimidin-2-one is CCC(N)Cn1cc(C)cnc1=O.
What is the InChIKey of 1-(2-aminobutyl)-5-methylpyrimidin-2-one?
The InChIKey is OOGXRNNHAVUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8(10)6-12-5-7(2)4-11-9(12)13/h4-5,8H,3,6,10H2,1-2H3.
What are the key properties of 1-(2-aminobutyl)-5-methylpyrimidin-2-one?
1-(2-aminobutyl)-5-methylpyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 63205935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).