1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione

C8H13N3O2 — CID 66330500

IUPAC1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCN)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-6-5-11(4-3-9)8(13)10-7(6)12/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyHRCJLLOHGLQCBF-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.94
Rot. Bonds3

About 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione

1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione (PubChem CID 66330500) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
PubChem CID66330500
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCN)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-6-5-11(4-3-9)8(13)10-7(6)12/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyHRCJLLOHGLQCBF-UHFFFAOYSA-N
XLogP-0.94
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione (CID 66330500) is 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione is CCc1cn(CCN)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione?
The InChIKey is HRCJLLOHGLQCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-6-5-11(4-3-9)8(13)10-7(6)12/h5H,2-4,9H2,1H3,(H,10,12,13).
What are the key properties of 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione?
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66330500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).