1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C9H11N3O2 — CID 167961025

IUPAC1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCn1c(=O)c(C#N)c(C)n(C)c1=O
InChIInChI=1S/C9H11N3O2/c1-4-12-8(13)7(5-10)6(2)11(3)9(12)14/h4H2,1-3H3
InChIKeyWSQXLEUQCWNLRK-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.25
Rot. Bonds1

About 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 167961025) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID167961025
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCn1c(=O)c(C#N)c(C)n(C)c1=O
InChIInChI=1S/C9H11N3O2/c1-4-12-8(13)7(5-10)6(2)11(3)9(12)14/h4H2,1-3H3
InChIKeyWSQXLEUQCWNLRK-UHFFFAOYSA-N
XLogP-0.25
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652
5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
CID 90143685
1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 166726321
3-(7-ethyl-3,8-dimethyl-2,6-dioxopurin-1-yl)propanenitrile
CID 51058636
2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
CID 91209185
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715
4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 24606278
1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile
CID 171835877
3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
CID 4557970
4-(1-ethylbenzimidazol-2-yl)sulfanyl-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 17468955
3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione
CID 21355386

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 167961025) is 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CCn1c(=O)c(C#N)c(C)n(C)c1=O.
What is the InChIKey of 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is WSQXLEUQCWNLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-12-8(13)7(5-10)6(2)11(3)9(12)14/h4H2,1-3H3.
What are the key properties of 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 167961025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).