tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate

C18H24N4O2S — CID 126849919

IUPACtert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2cc(-c3cccs3)ncn2)C1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)24-17(23)21-13-6-4-8-22(11-13)16-10-14(19-12-20-16)15-7-5-9-25-15/h5,7,9-10,12-13H,4,6,8,11H2,1-3H3,(H,21,23)
InChIKeyMWDHBXFKBQRBFW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.70
Rot. Bonds3

About tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate (PubChem CID 126849919) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
PubChem CID126849919
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Nametert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2cc(-c3cccs3)ncn2)C1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)24-17(23)21-13-6-4-8-22(11-13)16-10-14(19-12-20-16)15-7-5-9-25-15/h5,7,9-10,12-13H,4,6,8,11H2,1-3H3,(H,21,23)
InChIKeyMWDHBXFKBQRBFW-UHFFFAOYSA-N
XLogP3.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
tert-butyl N-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 86331531
tert-butyl N-[1-[6-(difluoromethyl)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 126850026
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3S)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 86329125

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate (CID 126849919) is tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2cc(-c3cccs3)ncn2)C1.
What is the InChIKey of tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
The InChIKey is MWDHBXFKBQRBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-18(2,3)24-17(23)21-13-6-4-8-22(11-13)16-10-14(19-12-20-16)15-7-5-9-25-15/h5,7,9-10,12-13H,4,6,8,11H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate has a molecular weight of 360.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 126849919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).