4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H15N3O5 — CID 60809516

IUPAC4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-5-8(14-12(20)15-9)10(17)13-7-3-1-6(2-4-7)11(18)19/h5-7H,1-4H2,(H,13,17)(H,18,19)(H2,14,15,16,20)
InChIKeyCTVFHOBUWWFXAT-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.56
Rot. Bonds3

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

4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60809516) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60809516
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-5-8(14-12(20)15-9)10(17)13-7-3-1-6(2-4-7)11(18)19/h5-7H,1-4H2,(H,13,17)(H,18,19)(H2,14,15,16,20)
InChIKeyCTVFHOBUWWFXAT-UHFFFAOYSA-N
XLogP-0.56
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dioxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]-1H-pyrimidine-6-carboxamide
CID 118776162
ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
CID 110698266
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042381
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254705
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;nickel
CID 174829099
N-cyclohexyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513809
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60809516) is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CTVFHOBUWWFXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-5-8(14-12(20)15-9)10(17)13-7-3-1-6(2-4-7)11(18)19/h5-7H,1-4H2,(H,13,17)(H,18,19)(H2,14,15,16,20).
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).