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

C13H17N3O5 — CID 43341415

IUPAC1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)(C(=O)O)CC1
InChIInChI=1S/C13H17N3O5/c1-7-2-4-13(5-3-7,11(19)20)16-10(18)8-6-9(17)15-12(21)14-8/h6-7H,2-5H2,1H3,(H,16,18)(H,19,20)(H2,14,15,17,21)
InChIKeyMFLWOMMMCXJSAJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.17
Rot. Bonds3

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

1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43341415) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID43341415
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)(C(=O)O)CC1
InChIInChI=1S/C13H17N3O5/c1-7-2-4-13(5-3-7,11(19)20)16-10(18)8-6-9(17)15-12(21)14-8/h6-7H,2-5H2,1H3,(H,16,18)(H,19,20)(H2,14,15,17,21)
InChIKeyMFLWOMMMCXJSAJ-UHFFFAOYSA-N
XLogP-0.17
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(2,6-Dioxo3h-pyrimidine-4-carbonyl)amino]cyclohexane-1-carboxylic
CID 24703433
4-[[(2,4-dioxo-1H-pyrimidin-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 17275063
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
4-Methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341377
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341629
2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
CID 61014906
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61289596
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61293019
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 62527876
2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentyl]acetic acid
CID 64671208
2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid
CID 64671932
4-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525715

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 43341415) is 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)(C(=O)O)CC1.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is MFLWOMMMCXJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-7-2-4-13(5-3-7,11(19)20)16-10(18)8-6-9(17)15-12(21)14-8/h6-7H,2-5H2,1H3,(H,16,18)(H,19,20)(H2,14,15,17,21).
What are the key properties of 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).