1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile

C11H14N4O3 — CID 113225190

IUPAC1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O3/c12-7-9-8-15(11(17)13-10(9)16)2-1-14-3-5-18-6-4-14/h8H,1-6H2,(H,13,16,17)
InChIKeyIFOMYQVSNIMHCY-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.26
Rot. Bonds3

About 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile

1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 113225190) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID113225190
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O3/c12-7-9-8-15(11(17)13-10(9)16)2-1-14-3-5-18-6-4-14/h8H,1-6H2,(H,13,16,17)
InChIKeyIFOMYQVSNIMHCY-UHFFFAOYSA-N
XLogP-1.26
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-[(2R)-morpholin-2-yl]pyrimidine-2,4-dione
CID 174213996
1-Morpholino-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 2763618
1-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2765654
2-Imidazolidin-2-ylidene-3-morpholin-4-yl-3-oxopropanenitrile
CID 3601204
1,3-Dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 17455267
1,3-Dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 17511601
1,3-Dimethyl-4-(2-morpholin-4-ylethylamino)-2,6-dioxopyrimidine-5-carbonitrile
CID 17558552
4-[4-(2-Methoxyethyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 18133118
1-Ethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 18140224
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 18140228
1-Ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 18140272
2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 18274578

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile (CID 113225190) is 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile is N#Cc1cn(CCN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is IFOMYQVSNIMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-7-9-8-15(11(17)13-10(9)16)2-1-14-3-5-18-6-4-14/h8H,1-6H2,(H,13,16,17).
What are the key properties of 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 113225190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).