2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide

C15H22FN7O4 — CID 126489267

IUPAC2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)CCCF)C1O
InChIInChI=1S/C15H22FN7O4/c16-3-1-2-7(17)14(26)22-9-8(4-24)27-15(11(9)25)23-6-21-10-12(18)19-5-20-13(10)23/h5-9,11,15,24-25H,1-4,17H2,(H,22,26)(H2,18,19,20)/t7?,8-,9?,11?,15-/m1/s1
InChIKeyAKCFMOBNMPHPFQ-ZQJDKANXSA-N
MW383.38 g/mol
LogP-1.78
Rot. Bonds7

About 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide

2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide (PubChem CID 126489267) has the molecular formula C15H22FN7O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide.

Molecular Properties

Compound Name2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
PubChem CID126489267
Molecular FormulaC15H22FN7O4
Molecular Weight383.38 g/mol
Exact Mass383.17
IUPAC Name2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)CCCF)C1O
InChIInChI=1S/C15H22FN7O4/c16-3-1-2-7(17)14(26)22-9-8(4-24)27-15(11(9)25)23-6-21-10-12(18)19-5-20-13(10)23/h5-9,11,15,24-25H,1-4,17H2,(H,22,26)(H2,18,19,20)/t7?,8-,9?,11?,15-/m1/s1
InChIKeyAKCFMOBNMPHPFQ-ZQJDKANXSA-N
XLogP-1.78
TPSA174.43 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S)-2-amino-N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-6-(carbamoylamino)hexanamide
CID 101288446
2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide
CID 126489225
(2S)-2-amino-N-[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-phenylpropanamide
CID 131876900
2-amino-N-[(2R,3S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
CID 59546507
(2S)-2-amino-N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-phenylpropanamide
CID 102086048
(4S)-4-amino-5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]amino]-5-oxopentanoic acid
CID 138403140
2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide
CID 137061818
2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hex-5-ynamide
CID 71576429
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide?
The IUPAC name of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide (CID 126489267) is 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide.
What is the SMILES notation for 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide?
The canonical SMILES for 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(NC(=O)C(N)CCCF)C1O.
What is the InChIKey of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide?
The InChIKey is AKCFMOBNMPHPFQ-ZQJDKANXSA-N. The full InChI is InChI=1S/C15H22FN7O4/c16-3-1-2-7(17)14(26)22-9-8(4-24)27-15(11(9)25)23-6-21-10-12(18)19-5-20-13(10)23/h5-9,11,15,24-25H,1-4,17H2,(H,22,26)(H2,18,19,20)/t7?,8-,9?,11?,15-/m1/s1.
What are the key properties of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide?
2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide has a molecular weight of 383.38 g/mol, XLogP of -1.78, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide is sourced from PubChem (CID 126489267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).