2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 63612609

IUPAC2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-14(5-2)7-6-9-12-10(15)8(3)11(16)13-9/h4-7H2,1-3H3,(H2,12,13,15,16)
InChIKeyOMHSYCZQORHKCW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.67
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63612609) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63612609
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-14(5-2)7-6-9-12-10(15)8(3)11(16)13-9/h4-7H2,1-3H3,(H2,12,13,15,16)
InChIKeyOMHSYCZQORHKCW-UHFFFAOYSA-N
XLogP0.67
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63612609) is 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCN(CC)CCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is OMHSYCZQORHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-14(5-2)7-6-9-12-10(15)8(3)11(16)13-9/h4-7H2,1-3H3,(H2,12,13,15,16).
What are the key properties of 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).