tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate

C16H26N4O2 — CID 45106477

IUPACtert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCc1cc(C)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-11-10-12(2)18-14(17-11)20-8-6-13(7-9-20)19-15(21)22-16(3,4)5/h10,13H,6-9H2,1-5H3,(H,19,21)
InChIKeyGZBZGEAIEIJZHT-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate (PubChem CID 45106477) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate
PubChem CID45106477
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCc1cc(C)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-11-10-12(2)18-14(17-11)20-8-6-13(7-9-20)19-15(21)22-16(3,4)5/h10,13H,6-9H2,1-5H3,(H,19,21)
InChIKeyGZBZGEAIEIJZHT-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate (CID 45106477) is tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate is Cc1cc(C)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is GZBZGEAIEIJZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-10-12(2)18-14(17-11)20-8-6-13(7-9-20)19-15(21)22-16(3,4)5/h10,13H,6-9H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 45106477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).