2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one

C9H15N3O — CID 18334340

IUPAC2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one
SMILESCCNc1nc(C)c(C)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-5-10-9-11-7(3)6(2)8(13)12(9)4/h5H2,1-4H3,(H,10,11)
InChIKeyNPJRYQFSONKFTH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.83
Rot. Bonds2

About 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one

2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one (PubChem CID 18334340) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one
PubChem CID18334340
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one
SMILESCCNc1nc(C)c(C)c(=O)n1C
InChIInChI=1S/C9H15N3O/c1-5-10-9-11-7(3)6(2)8(13)12(9)4/h5H2,1-4H3,(H,10,11)
InChIKeyNPJRYQFSONKFTH-UHFFFAOYSA-N
XLogP0.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one (CID 18334340) is 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one is CCNc1nc(C)c(C)c(=O)n1C.
What is the InChIKey of 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one?
The InChIKey is NPJRYQFSONKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-10-9-11-7(3)6(2)8(13)12(9)4/h5H2,1-4H3,(H,10,11).
What are the key properties of 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one?
2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 18334340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).