ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate

C13H15N5O3 — CID 141002179

IUPACethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1cnc[nH]1)c1ccncn1
InChIInChI=1S/C13H15N5O3/c1-2-21-12(19)4-6-18(11-3-5-14-8-17-11)13(20)10-7-15-9-16-10/h3,5,7-9H,2,4,6H2,1H3,(H,15,16)
InChIKeyHWJVTAQNXBFBBO-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.80
Rot. Bonds6

About ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate

ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate (PubChem CID 141002179) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate
PubChem CID141002179
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Nameethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1cnc[nH]1)c1ccncn1
InChIInChI=1S/C13H15N5O3/c1-2-21-12(19)4-6-18(11-3-5-14-8-17-11)13(20)10-7-15-9-16-10/h3,5,7-9H,2,4,6H2,1H3,(H,15,16)
InChIKeyHWJVTAQNXBFBBO-UHFFFAOYSA-N
XLogP0.80
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)pyrazine-2-carboxamide
CID 56920499
N-(2-((1H-imidazol-2-yl)amino)-2-oxoethyl)pyrazine-2-carboxamide
CID 71703882
N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 71706528
N-[4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]butyl]-1H-imidazole-5-carboxamide
CID 20208672
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
CID 128987798
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 128991268
N-ethylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 22944593
N-[1-(6-oxo-2-sulfanylidene-7H-purin-3-yl)propan-2-yl]pyrimidine-2-carboxamide
CID 24855162
ethyl 5-(morpholine-4-carbonyl)-1H-imidazole-2-carboxylate
CID 66898795
Ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate
CID 68865433
2-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]-1,7-dihydropurin-6-one
CID 136003196
2-Amino-1,7-dihydropurin-6-one;pyrimidine
CID 136332627

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate (CID 141002179) is ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate is CCOC(=O)CCN(C(=O)c1cnc[nH]1)c1ccncn1.
What is the InChIKey of ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate?
The InChIKey is HWJVTAQNXBFBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-2-21-12(19)4-6-18(11-3-5-14-8-17-11)13(20)10-7-15-9-16-10/h3,5,7-9H,2,4,6H2,1H3,(H,15,16).
What are the key properties of ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate?
ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate has a molecular weight of 289.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 141002179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).