1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile

C12H16N4O3 — CID 114401429

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCN1CCOC(Cn2cc(C#N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C12H16N4O3/c1-2-15-3-4-19-10(7-15)8-16-6-9(5-13)11(17)14-12(16)18/h6,10H,2-4,7-8H2,1H3,(H,14,17,18)
InChIKeyKSCNDGLZHULIHX-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.87
Rot. Bonds3

About 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile

1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 114401429) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID114401429
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCN1CCOC(Cn2cc(C#N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C12H16N4O3/c1-2-15-3-4-19-10(7-15)8-16-6-9(5-13)11(17)14-12(16)18/h6,10H,2-4,7-8H2,1H3,(H,14,17,18)
InChIKeyKSCNDGLZHULIHX-UHFFFAOYSA-N
XLogP-0.87
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
4-(2-Ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 71898854
6-Methyl-1-[3-(4-morpholinyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 145921997
1-[6-(Aminomethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 71036899
1-(6-Ethyl-4-methylmorpholin-2-yl)-5-methylpyrimidine-2,4-dione
CID 167063062
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
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 114401429) is 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile is CCN1CCOC(Cn2cc(C#N)c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is KSCNDGLZHULIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-2-15-3-4-19-10(7-15)8-16-6-9(5-13)11(17)14-12(16)18/h6,10H,2-4,7-8H2,1H3,(H,14,17,18).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 264.28 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 114401429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).