tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate

C16H24FN3O4 — CID 134356569

IUPACtert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCC(=O)Cn1cncc(F)c1=O
InChIInChI=1S/C16H24FN3O4/c1-16(2,3)24-15(23)19-8-6-4-5-7-12(21)10-20-11-18-9-13(17)14(20)22/h9,11H,4-8,10H2,1-3H3,(H,19,23)
InChIKeyJHZXKKRRJZRUHK-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.04
Rot. Bonds8

About tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate

tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate (PubChem CID 134356569) has the molecular formula C16H24FN3O4 and a molecular weight of 341.38 g/mol. Its IUPAC name is tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate
PubChem CID134356569
Molecular FormulaC16H24FN3O4
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCC(=O)Cn1cncc(F)c1=O
InChIInChI=1S/C16H24FN3O4/c1-16(2,3)24-15(23)19-8-6-4-5-7-12(21)10-20-11-18-9-13(17)14(20)22/h9,11H,4-8,10H2,1-3H3,(H,19,23)
InChIKeyJHZXKKRRJZRUHK-UHFFFAOYSA-N
XLogP2.04
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,3,5,6-tetrafluorophenyl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
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tert-butyl N-[13-(3-aminopropylamino)-4-oxotridecyl]carbamate
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tert-butyl N-[[3-(3-aminopropyl)imidazol-4-yl]methyl]carbamate
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tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
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tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
tert-butyl N-[6-[[6-[[6-[[6-[[18-[(6-amino-6-oxohexyl)amino]-6,12,18-trioxooctadecyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
CID 100969493
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl] butanedioate
CID 175487122
tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
tert-butyl N-[7-(2,6-difluorocyclohexa-1,5-dien-1-yl)oxy-6-oxoheptyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate?
The IUPAC name of tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate (CID 134356569) is tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate?
The canonical SMILES for tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate is CC(C)(C)OC(=O)NCCCCCC(=O)Cn1cncc(F)c1=O.
What is the InChIKey of tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate?
The InChIKey is JHZXKKRRJZRUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4/c1-16(2,3)24-15(23)19-8-6-4-5-7-12(21)10-20-11-18-9-13(17)14(20)22/h9,11H,4-8,10H2,1-3H3,(H,19,23).
What are the key properties of tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate?
tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate has a molecular weight of 341.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate is sourced from PubChem (CID 134356569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).