1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile

C8H9N3O3 — CID 2765654

IUPAC1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCOCCn1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O3/c1-14-3-2-11-5-6(4-9)7(12)10-8(11)13/h5H,2-3H2,1H3,(H,10,12,13)
InChIKeyPIUAIMWPULARFX-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.95
Rot. Bonds3

About 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile

1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 2765654) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID2765654
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCOCCn1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O3/c1-14-3-2-11-5-6(4-9)7(12)10-8(11)13/h5H,2-3H2,1H3,(H,10,12,13)
InChIKeyPIUAIMWPULARFX-UHFFFAOYSA-N
XLogP-0.95
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 2822103
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106
1-(2-Azidoethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 14843058
1-(2-Aminoethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 21787104
1-Isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2779165
1-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 12261431
3-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
CID 9989821
1-[2-(Ethenyloxy)ethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 71327942
3,4-Dihydro-5-methoxy-2,4-dioxo-1(2H)-pyrimidinepropanenitrile
CID 129939715
5-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 61517592
5-Methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 65803532
1-[2-(2,2-Difluoroethoxy)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 105905519

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile (CID 2765654) is 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile is COCCn1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is PIUAIMWPULARFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-3-2-11-5-6(4-9)7(12)10-8(11)13/h5H,2-3H2,1H3,(H,10,12,13).
What are the key properties of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 195.18 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 2765654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).