5-(2-aminoethyl)-3-methylpyrimidin-4-one

C7H11N3O — CID 83872658

IUPAC5-(2-aminoethyl)-3-methylpyrimidin-4-one
SMILESCn1cncc(CCN)c1=O
InChIInChI=1S/C7H11N3O/c1-10-5-9-4-6(2-3-8)7(10)11/h4-5H,2-3,8H2,1H3
InChIKeyYROVJGBUXGDCIZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.72
Rot. Bonds2

About 5-(2-aminoethyl)-3-methylpyrimidin-4-one

5-(2-aminoethyl)-3-methylpyrimidin-4-one (PubChem CID 83872658) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-methylpyrimidin-4-one
PubChem CID83872658
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-(2-aminoethyl)-3-methylpyrimidin-4-one
SMILESCn1cncc(CCN)c1=O
InChIInChI=1S/C7H11N3O/c1-10-5-9-4-6(2-3-8)7(10)11/h4-5H,2-3,8H2,1H3
InChIKeyYROVJGBUXGDCIZ-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 ≤ 500153.19
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 5-(2-aminoethyl)-3-methylpyrimidin-4-one?
The IUPAC name of 5-(2-aminoethyl)-3-methylpyrimidin-4-one (CID 83872658) is 5-(2-aminoethyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-(2-aminoethyl)-3-methylpyrimidin-4-one is Cn1cncc(CCN)c1=O.
What is the InChIKey of 5-(2-aminoethyl)-3-methylpyrimidin-4-one?
The InChIKey is YROVJGBUXGDCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-5-9-4-6(2-3-8)7(10)11/h4-5H,2-3,8H2,1H3.
What are the key properties of 5-(2-aminoethyl)-3-methylpyrimidin-4-one?
5-(2-aminoethyl)-3-methylpyrimidin-4-one has a molecular weight of 153.19 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 5-(2-aminoethyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 83872658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).