2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one

C12H22N4O — CID 135978385

IUPAC2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)7-6-11-14-10(9-13-3)8-12(17)15-11/h8,13H,4-7,9H2,1-3H3,(H,14,15,17)
InChIKeyDBSDULVXRQETNK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.37
Rot. Bonds7

About 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one

2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 135978385) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID135978385
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-4-16(5-2)7-6-11-14-10(9-13-3)8-12(17)15-11/h8,13H,4-7,9H2,1-3H3,(H,14,15,17)
InChIKeyDBSDULVXRQETNK-UHFFFAOYSA-N
XLogP0.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.37
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-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one (CID 135978385) is 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one is CCN(CC)CCc1nc(CNC)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is DBSDULVXRQETNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16(5-2)7-6-11-14-10(9-13-3)8-12(17)15-11/h8,13H,4-7,9H2,1-3H3,(H,14,15,17).
What are the key properties of 2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one?
2-[2-(diethylamino)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 0.37, 7 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-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).