pyrimidin-4-ylmethyl imidazole-1-carboxylate

C9H8N4O2 — CID 134348493

IUPACpyrimidin-4-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1ccncn1)n1ccnc1
InChIInChI=1S/C9H8N4O2/c14-9(13-4-3-11-7-13)15-5-8-1-2-10-6-12-8/h1-4,6-7H,5H2
InChIKeyRGZXGVXIPSUSJE-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.86
Rot. Bonds2

About pyrimidin-4-ylmethyl imidazole-1-carboxylate

pyrimidin-4-ylmethyl imidazole-1-carboxylate (PubChem CID 134348493) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is pyrimidin-4-ylmethyl imidazole-1-carboxylate.

Molecular Properties

Compound Namepyrimidin-4-ylmethyl imidazole-1-carboxylate
PubChem CID134348493
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Namepyrimidin-4-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1ccncn1)n1ccnc1
InChIInChI=1S/C9H8N4O2/c14-9(13-4-3-11-7-13)15-5-8-1-2-10-6-12-8/h1-4,6-7H,5H2
InChIKeyRGZXGVXIPSUSJE-UHFFFAOYSA-N
XLogP0.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyrimidin-4-ylmethyl imidazole-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-ylmethyl imidazole-1-carboxylate?
The IUPAC name of pyrimidin-4-ylmethyl imidazole-1-carboxylate (CID 134348493) is pyrimidin-4-ylmethyl imidazole-1-carboxylate.
What is the SMILES notation for pyrimidin-4-ylmethyl imidazole-1-carboxylate?
The canonical SMILES for pyrimidin-4-ylmethyl imidazole-1-carboxylate is O=C(OCc1ccncn1)n1ccnc1.
What is the InChIKey of pyrimidin-4-ylmethyl imidazole-1-carboxylate?
The InChIKey is RGZXGVXIPSUSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(13-4-3-11-7-13)15-5-8-1-2-10-6-12-8/h1-4,6-7H,5H2.
What are the key properties of pyrimidin-4-ylmethyl imidazole-1-carboxylate?
pyrimidin-4-ylmethyl imidazole-1-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-ylmethyl imidazole-1-carboxylate is sourced from PubChem (CID 134348493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).