1-pyrimidin-2-ylimidazolidine-4-carboxylic acid

C8H10N4O2 — CID 142782757

IUPAC1-pyrimidin-2-ylimidazolidine-4-carboxylic acid
SMILESO=C(O)C1CN(c2ncccn2)CN1
InChIInChI=1S/C8H10N4O2/c13-7(14)6-4-12(5-11-6)8-9-2-1-3-10-8/h1-3,6,11H,4-5H2,(H,13,14)
InChIKeyCQYRWTPZMZLKJI-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.70
Rot. Bonds2

About 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid

1-pyrimidin-2-ylimidazolidine-4-carboxylic acid (PubChem CID 142782757) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-2-ylimidazolidine-4-carboxylic acid
PubChem CID142782757
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-pyrimidin-2-ylimidazolidine-4-carboxylic acid
SMILESO=C(O)C1CN(c2ncccn2)CN1
InChIInChI=1S/C8H10N4O2/c13-7(14)6-4-12(5-11-6)8-9-2-1-3-10-8/h1-3,6,11H,4-5H2,(H,13,14)
InChIKeyCQYRWTPZMZLKJI-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-2-yl)amino]propanoic acid
CID 10511282
2-((Pyrimidin-2-yl)amino)acetic acid
CID 16228214
L-Proline, 4-(4-(2-pyrimidinyl)-1-piperazinyl)-, (4S)-
CID 118753184
1-Propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)imidazolidin-2-one
CID 134796747
Pyrimidinylornithine
CID 53965494
4-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 56875085
2-[(4-Fluoropyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 89350746
3-methyl-2-oxo-1-(2-pyrimidinyl)-4-imidazolidinecarboxylic acid TFA salt
CID 131728808
(4S)-3-methyl-2-oxo-1-(2-pyrimidinyl)-4-imidazolidinecarboxylic acid TFA salt
CID 131728809
N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 175112064
N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 175112065
2-(Pyrimidin-2-ylamino)butanedioic acid
CID 270377

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid?
The IUPAC name of 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid (CID 142782757) is 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid?
The canonical SMILES for 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid is O=C(O)C1CN(c2ncccn2)CN1.
What is the InChIKey of 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid?
The InChIKey is CQYRWTPZMZLKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-7(14)6-4-12(5-11-6)8-9-2-1-3-10-8/h1-3,6,11H,4-5H2,(H,13,14).
What are the key properties of 1-pyrimidin-2-ylimidazolidine-4-carboxylic acid?
1-pyrimidin-2-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-2-ylimidazolidine-4-carboxylic acid is sourced from PubChem (CID 142782757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).