N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide

C16H26N4O6 — CID 123895707

IUPACN-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
SMILESNCCCCCCNC(=O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O6/c17-5-3-1-2-4-6-18-14(23)10-8-20(16(25)19-15(10)24)13-7-11(22)12(9-21)26-13/h8,11-13,21-22H,1-7,9,17H2,(H,18,23)(H,19,24,25)/t11?,12-,13-/m0/s1
InChIKeyGUUJLNMLJJCWCF-SPOOISQMSA-N
MW370.41 g/mol
LogP-1.57
Rot. Bonds9

About N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide

N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 123895707) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID123895707
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC NameN-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
SMILESNCCCCCCNC(=O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O6/c17-5-3-1-2-4-6-18-14(23)10-8-20(16(25)19-15(10)24)13-7-11(22)12(9-21)26-13/h8,11-13,21-22H,1-7,9,17H2,(H,18,23)(H,19,24,25)/t11?,12-,13-/m0/s1
InChIKeyGUUJLNMLJJCWCF-SPOOISQMSA-N
XLogP-1.57
TPSA159.67 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 66988610
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 70667421
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 70667422
N-butyl-2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetamide
CID 121487482
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-methylprop-2-enoyl)pyrimidine-2,4-dione
CID 67939748
5-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70974098
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-diazonium
CID 4555041
2-bromo-N-[3-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propyl]acetamide
CID 57153361
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 66863184
2,2,2-trifluoro-N-[3-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propyl]acetamide
CID 57282848

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide (CID 123895707) is N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide is NCCCCCCNC(=O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is GUUJLNMLJJCWCF-SPOOISQMSA-N. The full InChI is InChI=1S/C16H26N4O6/c17-5-3-1-2-4-6-18-14(23)10-8-20(16(25)19-15(10)24)13-7-11(22)12(9-21)26-13/h8,11-13,21-22H,1-7,9,17H2,(H,18,23)(H,19,24,25)/t11?,12-,13-/m0/s1.
What are the key properties of N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide?
N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of -1.57, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 123895707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).