6-amino-1-ethylpyrimidine-2,4-dione

C6H9N3O2 — CID 853899

IUPAC6-amino-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
InChIKeyQHEMDIZENXAVRQ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.86
Rot. Bonds1

About 6-amino-1-ethylpyrimidine-2,4-dione

6-amino-1-ethylpyrimidine-2,4-dione (PubChem CID 853899) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 6-amino-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethylpyrimidine-2,4-dione
PubChem CID853899
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name6-amino-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
InChIKeyQHEMDIZENXAVRQ-UHFFFAOYSA-N
XLogP-0.86
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethylpyrimidine-2,4-dione (CID 853899) is 6-amino-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethylpyrimidine-2,4-dione is CCn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethylpyrimidine-2,4-dione?
The InChIKey is QHEMDIZENXAVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11).
What are the key properties of 6-amino-1-ethylpyrimidine-2,4-dione?
6-amino-1-ethylpyrimidine-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 853899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).