1,3-diethyl-6-hydroxypyrimidine-2,4-dione

C8H12N2O3 — CID 14496865

IUPAC1,3-diethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCn1c(O)cc(=O)n(CC)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h5,11H,3-4H2,1-2H3
InChIKeySVHHECJHQRTOAI-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.24
Rot. Bonds2

About 1,3-diethyl-6-hydroxypyrimidine-2,4-dione

1,3-diethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 14496865) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1,3-diethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID14496865
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1,3-diethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCn1c(O)cc(=O)n(CC)c1=O
InChIInChI=1S/C8H12N2O3/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h5,11H,3-4H2,1-2H3
InChIKeySVHHECJHQRTOAI-UHFFFAOYSA-N
XLogP-0.24
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-diethyl-6-hydroxypyrimidine-2,4-dione (CID 14496865) is 1,3-diethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-diethyl-6-hydroxypyrimidine-2,4-dione is CCn1c(O)cc(=O)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is SVHHECJHQRTOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h5,11H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-6-hydroxypyrimidine-2,4-dione?
1,3-diethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 14496865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).