6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate

C11H14N3O5- — CID 7298450

IUPAC6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate
SMILESO=C([O-])CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19)/p-1
InChIKeyJENYBQGBHAJBST-UHFFFAOYSA-M
MW268.25 g/mol
LogP-1.90
Rot. Bonds7

About 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate

6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate (PubChem CID 7298450) has the molecular formula C11H14N3O5- and a molecular weight of 268.25 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate.

Molecular Properties

Compound Name6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate
PubChem CID7298450
Molecular FormulaC11H14N3O5-
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate
SMILESO=C([O-])CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19)/p-1
InChIKeyJENYBQGBHAJBST-UHFFFAOYSA-M
XLogP-1.90
TPSA134.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]hexanoic acid
CID 5039256
6-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]hexanoic acid
CID 313549
4-{[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino}butanoate
CID 1761611
8-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-8-oxooctanoic acid
CID 68654646
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 24697609
7-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]heptanoic acid
CID 24703343
(2S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 28188509
(2R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 28188512
6-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 28788693
6-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43352930
6-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43352934
methyl 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate
CID 43404577

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate?
The IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate (CID 7298450) is 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate.
What is the SMILES notation for 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate?
The canonical SMILES for 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate is O=C([O-])CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate?
The InChIKey is JENYBQGBHAJBST-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19)/p-1.
What are the key properties of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate?
6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate has a molecular weight of 268.25 g/mol, XLogP of -1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoate is sourced from PubChem (CID 7298450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).