tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate

C14H18N4O2 — CID 54582557

IUPACtert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate
SMILESCc1cc(-c2cccn2C(=O)OC(C)(C)C)nc(N)n1
InChIInChI=1S/C14H18N4O2/c1-9-8-10(17-12(15)16-9)11-6-5-7-18(11)13(19)20-14(2,3)4/h5-8H,1-4H3,(H2,15,16,17)
InChIKeyIUGXTZUPHLJSTG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.62
Rot. Bonds1

About tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate

tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate (PubChem CID 54582557) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate
PubChem CID54582557
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nametert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate
SMILESCc1cc(-c2cccn2C(=O)OC(C)(C)C)nc(N)n1
InChIInChI=1S/C14H18N4O2/c1-9-8-10(17-12(15)16-9)11-6-5-7-18(11)13(19)20-14(2,3)4/h5-8H,1-4H3,(H2,15,16,17)
InChIKeyIUGXTZUPHLJSTG-UHFFFAOYSA-N
XLogP2.62
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-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 tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate (CID 54582557) is tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate is Cc1cc(-c2cccn2C(=O)OC(C)(C)C)nc(N)n1.
What is the InChIKey of tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate?
The InChIKey is IUGXTZUPHLJSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-8-10(17-12(15)16-9)11-6-5-7-18(11)13(19)20-14(2,3)4/h5-8H,1-4H3,(H2,15,16,17).
What are the key properties of tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate?
tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-6-methylpyrimidin-4-yl)pyrrole-1-carboxylate is sourced from PubChem (CID 54582557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).