3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one

C8H13N3O — CID 63770218

IUPAC3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCN)c(C)n1
InChIInChI=1S/C8H13N3O/c1-6-5-8(12)11(4-3-9)7(2)10-6/h5H,3-4,9H2,1-2H3
InChIKeyYOJQVSIOBIEEJB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.18
Rot. Bonds2

About 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one

3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63770218) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63770218
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCN)c(C)n1
InChIInChI=1S/C8H13N3O/c1-6-5-8(12)11(4-3-9)7(2)10-6/h5H,3-4,9H2,1-2H3
InChIKeyYOJQVSIOBIEEJB-UHFFFAOYSA-N
XLogP-0.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one (CID 63770218) is 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCN)c(C)n1.
What is the InChIKey of 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is YOJQVSIOBIEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-5-8(12)11(4-3-9)7(2)10-6/h5H,3-4,9H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one?
3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63770218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).