5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione

C7H11N3O2 — CID 70036565

IUPAC5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESCNCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-8-3-2-5-4-9-7(12)10-6(5)11/h4,8H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyUQLSBMRGGYTWLW-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.17
Rot. Bonds3

About 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione

5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70036565) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID70036565
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESCNCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-8-3-2-5-4-9-7(12)10-6(5)11/h4,8H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyUQLSBMRGGYTWLW-UHFFFAOYSA-N
XLogP-1.17
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione (CID 70036565) is 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione is CNCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UQLSBMRGGYTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-3-2-5-4-9-7(12)10-6(5)11/h4,8H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione?
5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70036565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).