5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one

C9H15N3O — CID 135819031

IUPAC5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-4-7-6(3)11-9(10-5-2)12-8(7)13/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyZZODTBKDKXZLES-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds3

About 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one

5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135819031) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135819031
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-4-7-6(3)11-9(10-5-2)12-8(7)13/h4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyZZODTBKDKXZLES-UHFFFAOYSA-N
XLogP1.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one (CID 135819031) is 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one is CCNc1nc(C)c(CC)c(=O)[nH]1.
What is the InChIKey of 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZZODTBKDKXZLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-7-6(3)11-9(10-5-2)12-8(7)13/h4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135819031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).