2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one

C10H17N3O — CID 43654586

IUPAC2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nccc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-3-13(4-2)8-6-9-11-7-5-10(14)12-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,12,14)
InChIKeyOYDPWKBOBMBLMD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.65
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one

2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 43654586) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID43654586
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nccc(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-3-13(4-2)8-6-9-11-7-5-10(14)12-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,12,14)
InChIKeyOYDPWKBOBMBLMD-UHFFFAOYSA-N
XLogP0.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one (CID 43654586) is 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one is CCN(CC)CCc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is OYDPWKBOBMBLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-13(4-2)8-6-9-11-7-5-10(14)12-9/h5,7H,3-4,6,8H2,1-2H3,(H,11,12,14).
What are the key properties of 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one?
2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 43654586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).