2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one

C12H21N3O2 — CID 21415048

IUPAC2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one
SMILESCCCN(CCC)c1nc(OCC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-4-7-15(8-5-2)12-13-10(16)9-11(14-12)17-6-3/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyUHNJSUWZZQVSLI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.79
Rot. Bonds7

About 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one

2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one (PubChem CID 21415048) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one
PubChem CID21415048
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one
SMILESCCCN(CCC)c1nc(OCC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-4-7-15(8-5-2)12-13-10(16)9-11(14-12)17-6-3/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyUHNJSUWZZQVSLI-UHFFFAOYSA-N
XLogP1.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one (CID 21415048) is 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one is CCCN(CCC)c1nc(OCC)cc(=O)[nH]1.
What is the InChIKey of 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one?
The InChIKey is UHNJSUWZZQVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-7-15(8-5-2)12-13-10(16)9-11(14-12)17-6-3/h9H,4-8H2,1-3H3,(H,13,14,16).
What are the key properties of 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one?
2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-4-ethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 21415048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).