tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate

C16H24N4O2 — CID 156898122

IUPACtert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESC=Cc1c(C)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N4O2/c1-6-13-12(2)17-11-18-14(13)19-7-9-20(10-8-19)15(21)22-16(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeySGAFULZNUSVRRH-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 156898122) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID156898122
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nametert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESC=Cc1c(C)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N4O2/c1-6-13-12(2)17-11-18-14(13)19-7-9-20(10-8-19)15(21)22-16(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeySGAFULZNUSVRRH-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-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 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate (CID 156898122) is tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate is C=Cc1c(C)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is SGAFULZNUSVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-6-13-12(2)17-11-18-14(13)19-7-9-20(10-8-19)15(21)22-16(3,4)5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-ethenyl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 156898122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).