1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

C11H12N6O3 — CID 107496762

IUPAC1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)Nc1ncccn1
InChIInChI=1S/C11H12N6O3/c18-9(19)8-6-17(7-15-8)5-4-14-11(20)16-10-12-2-1-3-13-10/h1-3,6-7H,4-5H2,(H,18,19)(H2,12,13,14,16,20)
InChIKeyQLWDXNKWTNXWDV-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.19
Rot. Bonds5

About 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107496762) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107496762
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)Nc1ncccn1
InChIInChI=1S/C11H12N6O3/c18-9(19)8-6-17(7-15-8)5-4-14-11(20)16-10-12-2-1-3-13-10/h1-3,6-7H,4-5H2,(H,18,19)(H2,12,13,14,16,20)
InChIKeyQLWDXNKWTNXWDV-UHFFFAOYSA-N
XLogP0.19
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498367
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-[(2-bromophenyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496791
1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496820
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497772
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-(pent-3-ynylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498352
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498296
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
1-[2-(but-2-ynoylamino)ethyl]imidazole-4-carboxylic acid
CID 107987042

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (CID 107496762) is 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is O=C(NCCn1cnc(C(=O)O)c1)Nc1ncccn1.
What is the InChIKey of 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is QLWDXNKWTNXWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c18-9(19)8-6-17(7-15-8)5-4-14-11(20)16-10-12-2-1-3-13-10/h1-3,6-7H,4-5H2,(H,18,19)(H2,12,13,14,16,20).
What are the key properties of 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 276.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).