5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one

C9H15N3O — CID 82503860

IUPAC5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one
SMILESCc1nc(=O)n(C)c(C)c1CCN
InChIInChI=1S/C9H15N3O/c1-6-8(4-5-10)7(2)12(3)9(13)11-6/h4-5,10H2,1-3H3
InChIKeyTUJYJOCNTRDJRW-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.10
Rot. Bonds2

About 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one

5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one (PubChem CID 82503860) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one
PubChem CID82503860
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one
SMILESCc1nc(=O)n(C)c(C)c1CCN
InChIInChI=1S/C9H15N3O/c1-6-8(4-5-10)7(2)12(3)9(13)11-6/h4-5,10H2,1-3H3
InChIKeyTUJYJOCNTRDJRW-UHFFFAOYSA-N
XLogP-0.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one (CID 82503860) is 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one is Cc1nc(=O)n(C)c(C)c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one?
The InChIKey is TUJYJOCNTRDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-8(4-5-10)7(2)12(3)9(13)11-6/h4-5,10H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one?
5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one is sourced from PubChem (CID 82503860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).