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

C17H27FN4O2 — CID 133421599

IUPACtert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
SMILESCCc1ncnc(N2CCC(NC(=O)OC(C)(C)C)CC2C)c1F
InChIInChI=1S/C17H27FN4O2/c1-6-13-14(18)15(20-10-19-13)22-8-7-12(9-11(22)2)21-16(23)24-17(3,4)5/h10-12H,6-9H2,1-5H3,(H,21,23)
InChIKeyYAYDZDVLDCKIIV-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.06
Rot. Bonds3

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

tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate (PubChem CID 133421599) 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)-2-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
PubChem CID133421599
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Nametert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
SMILESCCc1ncnc(N2CCC(NC(=O)OC(C)(C)C)CC2C)c1F
InChIInChI=1S/C17H27FN4O2/c1-6-13-14(18)15(20-10-19-13)22-8-7-12(9-11(22)2)21-16(23)24-17(3,4)5/h10-12H,6-9H2,1-5H3,(H,21,23)
InChIKeyYAYDZDVLDCKIIV-UHFFFAOYSA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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
tert-Butyl (1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)carbamate
CID 67344970
tert-butyl N-piperidin-4-yl-N-[6-(trifluoromethyl)pyrimidin-4-yl]carbamate
CID 67374566
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
Ethyl 4-[6-(1-fluoroethyl)-5-iodopyrimidin-4-yl]piperazine-1-carboxylate
CID 140057098
tert-butyl N-[(1S,5S)-3-(5-fluoro-6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 146306634

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate (CID 133421599) is tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate is CCc1ncnc(N2CCC(NC(=O)OC(C)(C)C)CC2C)c1F.
What is the InChIKey of tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
The InChIKey is YAYDZDVLDCKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-6-13-14(18)15(20-10-19-13)22-8-7-12(9-11(22)2)21-16(23)24-17(3,4)5/h10-12H,6-9H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate has a molecular weight of 338.43 g/mol, XLogP of 3.06, 3 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)-2-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 133421599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).