2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide

C14H23N7O5 — CID 71178666

IUPAC2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide
SMILESCCCC(N)C(=O)NC1[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(/N=N/N)nc1=O
InChIInChI=1S/C14H23N7O5/c1-2-3-7(15)12(24)18-10-11(23)8(6-22)26-13(10)21-5-4-9(19-20-16)17-14(21)25/h4-5,7-8,10-11,13,22-23H,2-3,6,15H2,1H3,(H,18,24)(H2,16,17,19,25)/t7?,8-,10?,11+,13-/m1/s1
InChIKeyOYKRZURPCWLRFS-DKXYZANUSA-N
MW369.38 g/mol
LogP-1.94
Rot. Bonds7

About 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide

2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide (PubChem CID 71178666) has the molecular formula C14H23N7O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide
PubChem CID71178666
Molecular FormulaC14H23N7O5
Molecular Weight369.38 g/mol
Exact Mass369.18
IUPAC Name2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide
SMILESCCCC(N)C(=O)NC1[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(/N=N/N)nc1=O
InChIInChI=1S/C14H23N7O5/c1-2-3-7(15)12(24)18-10-11(23)8(6-22)26-13(10)21-5-4-9(19-20-16)17-14(21)25/h4-5,7-8,10-11,13,22-23H,2-3,6,15H2,1H3,(H,18,24)(H2,16,17,19,25)/t7?,8-,10?,11+,13-/m1/s1
InChIKeyOYKRZURPCWLRFS-DKXYZANUSA-N
XLogP-1.94
TPSA190.44 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-diamino-N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
CID 22899181
N-[(2R,3R,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 175676585
2-amino-N-[(2R,3S,5R)-2-(6-amino-2-methyl-3,6-dihydropurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 59546512
2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]hexanamide
CID 59546503
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(ethylideneamino)pyrimidin-2-one
CID 175240826
(2S)-2-amino-N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 11948635
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
2-amino-5-[[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 76806607
4-azido-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22316407
2-amino-N-[(2S,4S,5R)-5-(4-amino-7-fluorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 59546498

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide?
The IUPAC name of 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide (CID 71178666) is 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide?
The canonical SMILES for 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide is CCCC(N)C(=O)NC1[C@@H](O)[C@@H](CO)O[C@H]1n1ccc(/N=N/N)nc1=O.
What is the InChIKey of 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide?
The InChIKey is OYKRZURPCWLRFS-DKXYZANUSA-N. The full InChI is InChI=1S/C14H23N7O5/c1-2-3-7(15)12(24)18-10-11(23)8(6-22)26-13(10)21-5-4-9(19-20-16)17-14(21)25/h4-5,7-8,10-11,13,22-23H,2-3,6,15H2,1H3,(H,18,24)(H2,16,17,19,25)/t7?,8-,10?,11+,13-/m1/s1.
What are the key properties of 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide?
2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide has a molecular weight of 369.38 g/mol, XLogP of -1.94, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R,4R,5R)-2-[4-(aminodiazenyl)-2-oxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pentanamide is sourced from PubChem (CID 71178666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).