6-(2-aminoethyl)-1-methylpyrimidin-2-one

C7H11N3O — CID 83851762

IUPAC6-(2-aminoethyl)-1-methylpyrimidin-2-one
SMILESCn1c(CCN)ccnc1=O
InChIInChI=1S/C7H11N3O/c1-10-6(2-4-8)3-5-9-7(10)11/h3,5H,2,4,8H2,1H3
InChIKeyPIYPEGYESCXLLI-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.72
Rot. Bonds2

About 6-(2-aminoethyl)-1-methylpyrimidin-2-one

6-(2-aminoethyl)-1-methylpyrimidin-2-one (PubChem CID 83851762) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-1-methylpyrimidin-2-one
PubChem CID83851762
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name6-(2-aminoethyl)-1-methylpyrimidin-2-one
SMILESCn1c(CCN)ccnc1=O
InChIInChI=1S/C7H11N3O/c1-10-6(2-4-8)3-5-9-7(10)11/h3,5H,2,4,8H2,1H3
InChIKeyPIYPEGYESCXLLI-UHFFFAOYSA-N
XLogP-0.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1-methylpyrimidin-2-one?
The IUPAC name of 6-(2-aminoethyl)-1-methylpyrimidin-2-one (CID 83851762) is 6-(2-aminoethyl)-1-methylpyrimidin-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-1-methylpyrimidin-2-one?
The canonical SMILES for 6-(2-aminoethyl)-1-methylpyrimidin-2-one is Cn1c(CCN)ccnc1=O.
What is the InChIKey of 6-(2-aminoethyl)-1-methylpyrimidin-2-one?
The InChIKey is PIYPEGYESCXLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-6(2-4-8)3-5-9-7(10)11/h3,5H,2,4,8H2,1H3.
What are the key properties of 6-(2-aminoethyl)-1-methylpyrimidin-2-one?
6-(2-aminoethyl)-1-methylpyrimidin-2-one has a molecular weight of 153.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 83851762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).