tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate

C17H27FN4O2 — CID 133421726

IUPACtert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
SMILESCCc1ncnc(N2CCCCC2CNC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C17H27FN4O2/c1-5-13-14(18)15(21-11-20-13)22-9-7-6-8-12(22)10-19-16(23)24-17(2,3)4/h11-12H,5-10H2,1-4H3,(H,19,23)
InChIKeyQYEAGQYLQSTKST-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate (PubChem CID 133421726) has the molecular formula C17H27FN4O2 and a molecular weight of 338.43 g/mol. Its IUPAC name is tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
PubChem CID133421726
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Nametert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
SMILESCCc1ncnc(N2CCCCC2CNC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C17H27FN4O2/c1-5-13-14(18)15(21-11-20-13)22-9-7-6-8-12(22)10-19-16(23)24-17(2,3)4/h11-12H,5-10H2,1-4H3,(H,19,23)
InChIKeyQYEAGQYLQSTKST-UHFFFAOYSA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]piperazine-1-carboxylate
CID 135271035
Tert-butyl (S)-3-((5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4-YL)amino)pyrrolidine-1-carboxylate
CID 57495324
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-3-methylurea
CID 121537353
6-ethyl-5-fluoro-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171359955
tert-Butyl (1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)carbamate
CID 67344970
tert-butyl (2R)-2-(5-fluoro-2-methoxypyrimidin-4-yl)-4-piperidin-4-ylpiperidine-1-carboxylate
CID 69090018
Tert-butyl 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4,4-difluoropiperidine-1-carboxylate
CID 89782900
tert-butyl N-[(1R,3S)-3-[(2-chloro-5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]carbamate
CID 129182013
tert-butyl N-[3-[(2-chloro-5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]carbamate
CID 129182015
tert-butyl N-[(1S,5R)-3-(5-fluoro-6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 129232080
tert-butyl N-[3-(5-fluoro-6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 137379527

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate (CID 133421726) is tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate is CCc1ncnc(N2CCCCC2CNC(=O)OC(C)(C)C)c1F.
What is the InChIKey of tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate?
The InChIKey is QYEAGQYLQSTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-5-13-14(18)15(21-11-20-13)22-9-7-6-8-12(22)10-19-16(23)24-17(2,3)4/h11-12H,5-10H2,1-4H3,(H,19,23).
What are the key properties of tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate has a molecular weight of 338.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 133421726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).