1-pyrimidin-5-ylimidazolidine-4-carboxylic acid

C8H10N4O2 — CID 142782746

IUPAC1-pyrimidin-5-ylimidazolidine-4-carboxylic acid
SMILESO=C(O)C1CN(c2cncnc2)CN1
InChIInChI=1S/C8H10N4O2/c13-8(14)7-3-12(5-11-7)6-1-9-4-10-2-6/h1-2,4,7,11H,3,5H2,(H,13,14)
InChIKeyWUYDCGLLJSZIFQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.70
Rot. Bonds2

About 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid

1-pyrimidin-5-ylimidazolidine-4-carboxylic acid (PubChem CID 142782746) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-5-ylimidazolidine-4-carboxylic acid
PubChem CID142782746
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-pyrimidin-5-ylimidazolidine-4-carboxylic acid
SMILESO=C(O)C1CN(c2cncnc2)CN1
InChIInChI=1S/C8H10N4O2/c13-8(14)7-3-12(5-11-7)6-1-9-4-10-2-6/h1-2,4,7,11H,3,5H2,(H,13,14)
InChIKeyWUYDCGLLJSZIFQ-UHFFFAOYSA-N
XLogP-0.70
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(Pyrimidin-5-yl)amino]propanoic acid
CID 82539654
Pyrimidine, 4-amino-5-carboxymethylamino-
CID 23422079
Pyrimidine, 5-amino-4-carboxymethylamino-
CID 23422082
5-Aminopyrimidine-2-carboxylic Acid
CID 12215997
4-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 56875085
N-(pyrimid-5-yl)oxamic acid
CID 107589536
1-(5-Fluoropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 71646287
4-(5-Fluoropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 71649695
(2S)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554819
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
(2R)-1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97166477
(2S)-1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97166478

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid?
The IUPAC name of 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid (CID 142782746) is 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid?
The canonical SMILES for 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid is O=C(O)C1CN(c2cncnc2)CN1.
What is the InChIKey of 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid?
The InChIKey is WUYDCGLLJSZIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-8(14)7-3-12(5-11-7)6-1-9-4-10-2-6/h1-2,4,7,11H,3,5H2,(H,13,14).
What are the key properties of 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid?
1-pyrimidin-5-ylimidazolidine-4-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylimidazolidine-4-carboxylic acid is sourced from PubChem (CID 142782746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).