tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate

C16H26N4O2 — CID 70827638

IUPACtert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H26N4O2/c1-12(2)13-10-17-14(18-11-13)19-6-8-20(9-7-19)15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyHEIVONLDYIZMCG-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.66
Rot. Bonds2

About tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 70827638) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID70827638
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCC(C)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H26N4O2/c1-12(2)13-10-17-14(18-11-13)19-6-8-20(9-7-19)15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyHEIVONLDYIZMCG-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate (CID 70827638) is tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate is CC(C)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is HEIVONLDYIZMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)13-10-17-14(18-11-13)19-6-8-20(9-7-19)15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.66, 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-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 70827638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).