1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid

C12H15N5O2 — CID 107499092

IUPAC1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1cc(NCCn2cnc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C12H15N5O2/c1-8-5-11(16-9(2)15-8)13-3-4-17-6-10(12(18)19)14-7-17/h5-7H,3-4H2,1-2H3,(H,18,19)(H,13,15,16)
InChIKeyTYYURHIMNMYLEY-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.10
Rot. Bonds5

About 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107499092) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107499092
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCc1cc(NCCn2cnc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C12H15N5O2/c1-8-5-11(16-9(2)15-8)13-3-4-17-6-10(12(18)19)14-7-17/h5-7H,3-4H2,1-2H3,(H,18,19)(H,13,15,16)
InChIKeyTYYURHIMNMYLEY-UHFFFAOYSA-N
XLogP1.10
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498964
ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate
CID 126836734
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498453
1-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496664
1-[2-(but-2-ynoylamino)ethyl]imidazole-4-carboxylic acid
CID 107987042
1-[2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498571
1-[2-(benzylsulfonylamino)ethyl]imidazole-4-carboxylic acid
CID 107497874
1-[2-[(4-ethoxycarbonyl-1,3-oxazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498278
1-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498313
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498296
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid (CID 107499092) is 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid is Cc1cc(NCCn2cnc(C(=O)O)c2)nc(C)n1.
What is the InChIKey of 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is TYYURHIMNMYLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-5-11(16-9(2)15-8)13-3-4-17-6-10(12(18)19)14-7-17/h5-7H,3-4H2,1-2H3,(H,18,19)(H,13,15,16).
What are the key properties of 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107499092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).