2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

C11H13N5O — CID 68527245

IUPAC2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC(N)c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C11H13N5O/c1-7(12)11-15-9(5-10(17)16(11)2)8-3-4-13-6-14-8/h3-7H,12H2,1-2H3
InChIKeyJMZBDGLZOWOHRB-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.26
Rot. Bonds2

About 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 68527245) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID68527245
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCC(N)c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C11H13N5O/c1-7(12)11-15-9(5-10(17)16(11)2)8-3-4-13-6-14-8/h3-7H,12H2,1-2H3
InChIKeyJMZBDGLZOWOHRB-UHFFFAOYSA-N
XLogP0.26
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (CID 68527245) is 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is CC(N)c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is JMZBDGLZOWOHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(12)11-15-9(5-10(17)16(11)2)8-3-4-13-6-14-8/h3-7H,12H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 231.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 68527245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).