ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate

C14H18N4O2 — CID 62993710

IUPACethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(Cc2ccc(C)nc2)c1N
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)12-13(15)18(10(3)17-12)8-11-6-5-9(2)16-7-11/h5-7H,4,8,15H2,1-3H3
InChIKeyUKBDQPUHWSYCCQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds4

About ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate

ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate (PubChem CID 62993710) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate
PubChem CID62993710
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(Cc2ccc(C)nc2)c1N
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)12-13(15)18(10(3)17-12)8-11-6-5-9(2)16-7-11/h5-7H,4,8,15H2,1-3H3
InChIKeyUKBDQPUHWSYCCQ-UHFFFAOYSA-N
XLogP1.70
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-[(3-cyanophenyl)methyl]-2-methylimidazole-4-carboxylate
CID 62314775
ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
CID 114186660
ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate
CID 63824099
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
methyl 5-amino-2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]imidazole-4-carboxylate
CID 103545427
ethyl 5-amino-2-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]imidazole-4-carboxylate
CID 63824459
ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 63330208
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
ethyl 5-amino-1-[4-(cyanomethyl)phenyl]-2-methylimidazole-4-carboxylate
CID 62302708
ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate
CID 62913975
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate (CID 62993710) is ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate is CCOC(=O)c1nc(C)n(Cc2ccc(C)nc2)c1N.
What is the InChIKey of ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate?
The InChIKey is UKBDQPUHWSYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-20-14(19)12-13(15)18(10(3)17-12)8-11-6-5-9(2)16-7-11/h5-7H,4,8,15H2,1-3H3.
What are the key properties of ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate?
ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-methyl-1-[(6-methyl-3-pyridinyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 62993710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).