pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate

C17H25N3O6 — CID 10044477

IUPACpentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate
SMILESC=Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCCCCC
InChIInChI=1S/C17H25N3O6/c1-4-6-7-8-25-17(24)19-14-11(5-2)9-20(16(23)18-14)15-13(22)12(21)10(3)26-15/h5,9-10,12-13,15,21-22H,2,4,6-8H2,1,3H3,(H,18,19,23,24)/t10-,12-,13-,15-/m1/s1
InChIKeySSIDJRKKVMGWJX-BPGGGUHBSA-N
MW367.40 g/mol
LogP1.26
Rot. Bonds7

About pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate

pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate (PubChem CID 10044477) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namepentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate
PubChem CID10044477
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Namepentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate
SMILESC=Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCCCCC
InChIInChI=1S/C17H25N3O6/c1-4-6-7-8-25-17(24)19-14-11(5-2)9-20(16(23)18-14)15-13(22)12(21)10(3)26-15/h5,9-10,12-13,15,21-22H,2,4,6-8H2,1,3H3,(H,18,19,23,24)/t10-,12-,13-,15-/m1/s1
InChIKeySSIDJRKKVMGWJX-BPGGGUHBSA-N
XLogP1.26
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate (CID 10044477) is pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate is C=Cc1cn([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)c(=O)nc1NC(=O)OCCCCC.
What is the InChIKey of pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is SSIDJRKKVMGWJX-BPGGGUHBSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-4-6-7-8-25-17(24)19-14-11(5-2)9-20(16(23)18-14)15-13(22)12(21)10(3)26-15/h5,9-10,12-13,15,21-22H,2,4,6-8H2,1,3H3,(H,18,19,23,24)/t10-,12-,13-,15-/m1/s1.
What are the key properties of pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate?
pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 367.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethenyl-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 10044477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).