6-(diethylamino)-1H-pyrimidine-2,4-dione

C8H13N3O2 — CID 12549634

IUPAC6-(diethylamino)-1H-pyrimidine-2,4-dione
SMILESCCN(CC)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)6-5-7(12)10-8(13)9-6/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyTVFWQCWCAXHEBG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.09
Rot. Bonds3

About 6-(diethylamino)-1H-pyrimidine-2,4-dione

6-(diethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 12549634) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-(diethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(diethylamino)-1H-pyrimidine-2,4-dione
PubChem CID12549634
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-(diethylamino)-1H-pyrimidine-2,4-dione
SMILESCCN(CC)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)6-5-7(12)10-8(13)9-6/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyTVFWQCWCAXHEBG-UHFFFAOYSA-N
XLogP-0.09
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(diethylamino)-1H-pyrimidine-2,4-dione (CID 12549634) is 6-(diethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(diethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(diethylamino)-1H-pyrimidine-2,4-dione is CCN(CC)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(diethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is TVFWQCWCAXHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-11(4-2)6-5-7(12)10-8(13)9-6/h5H,3-4H2,1-2H3,(H2,9,10,12,13).
What are the key properties of 6-(diethylamino)-1H-pyrimidine-2,4-dione?
6-(diethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12549634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).