5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione

C9H12N2O3 — CID 151232470

IUPAC5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
SMILESCCn1c(C)c(C(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-4-11-5(2)7(6(3)12)8(13)10-9(11)14/h4H2,1-3H3,(H,10,13,14)
InChIKeyNOOVHUCHMDVURU-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.07
Rot. Bonds2

About 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione

5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione (PubChem CID 151232470) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
PubChem CID151232470
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
SMILESCCn1c(C)c(C(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-4-11-5(2)7(6(3)12)8(13)10-9(11)14/h4H2,1-3H3,(H,10,13,14)
InChIKeyNOOVHUCHMDVURU-UHFFFAOYSA-N
XLogP0.07
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-(2-chloroacetyl)-1-ethylpyrimidine-2,4-dione
CID 4962458
N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 66522821
1-ethyl-1,3,5-triazinane-2,4,6-trione;tris(2-methylprop-2-enoic acid)
CID 68974660
2-(5,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetyl chloride
CID 130012614
5-acetyl-2,4-diethyl-1H-pyrimidin-6-one
CID 135837139
3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
CID 15555017
1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
CID 122606857
1-ethyl-2,4-dioxo-N,N-dipropylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36715420
8-bromo-3,7-diethylpurine-2,6-dione
CID 82464024
2-acetyl-3-methylcycloprop-2-en-1-one
CID 164818342
6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
CID 94458615
1-(1-ethyl-4-ethylsulfanyl-6-methyl-2-sulfanylidenepyrimidin-5-yl)ethanone
CID 891628

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione (CID 151232470) is 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione is CCn1c(C)c(C(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione?
The InChIKey is NOOVHUCHMDVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-11-5(2)7(6(3)12)8(13)10-9(11)14/h4H2,1-3H3,(H,10,13,14).
What are the key properties of 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione?
5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 151232470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).