2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one

C8H13N3O2 — CID 21415038

IUPAC2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)8-9-6(12)5-7(13)10-8/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyQLQQHEHEBSZVAM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.32
Rot. Bonds3

About 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one

2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 21415038) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID21415038
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)8-9-6(12)5-7(13)10-8/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChIKeyQLQQHEHEBSZVAM-UHFFFAOYSA-N
XLogP0.32
TPSA69.22 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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 21415038) is 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one is CCN(CC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QLQQHEHEBSZVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-11(4-2)8-9-6(12)5-7(13)10-8/h5H,3-4H2,1-2H3,(H2,9,10,12,13).
What are the key properties of 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 21415038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).