6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione

C11H16N4O4 — CID 115315193

IUPAC6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(N)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCO1
InChIInChI=1S/C11H16N4O4/c1-6(12)8-5-15(2-3-19-8)10(17)7-4-9(16)14-11(18)13-7/h4,6,8H,2-3,5,12H2,1H3,(H2,13,14,16,18)
InChIKeyWCEXMLSQDGKQAI-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.75
Rot. Bonds2

About 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione

6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 115315193) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID115315193
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(N)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCO1
InChIInChI=1S/C11H16N4O4/c1-6(12)8-5-15(2-3-19-8)10(17)7-4-9(16)14-11(18)13-7/h4,6,8H,2-3,5,12H2,1H3,(H2,13,14,16,18)
InChIKeyWCEXMLSQDGKQAI-UHFFFAOYSA-N
XLogP-1.75
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1-aminoethyl)morpholine-4-carbonyl]-1,3-dihydroimidazol-2-one
CID 113285001
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
6-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 106837060
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 65244753
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 61297937

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione (CID 115315193) is 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione is CC(N)C1CN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CCO1.
What is the InChIKey of 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WCEXMLSQDGKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6(12)8-5-15(2-3-19-8)10(17)7-4-9(16)14-11(18)13-7/h4,6,8H,2-3,5,12H2,1H3,(H2,13,14,16,18).
What are the key properties of 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione?
6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of -1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 115315193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).