N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide

C10H13FN4O6 — CID 91520059

IUPACN-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide
SMILESO=C(CF)Nc1ncn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1
InChIInChI=1S/C10H13FN4O6/c11-1-5(17)13-9-12-3-15(10(20)14-9)8-7(19)6(18)4(2-16)21-8/h3-4,6-8,16,18-19H,1-2H2,(H,13,14,17,20)/t4-,6?,7?,8-/m1/s1
InChIKeyKYAWYIPYEFPYPF-AYZDMWBASA-N
MW304.23 g/mol
LogP-2.84
Rot. Bonds4

About N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide

N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide (PubChem CID 91520059) has the molecular formula C10H13FN4O6 and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide
PubChem CID91520059
Molecular FormulaC10H13FN4O6
Molecular Weight304.23 g/mol
Exact Mass304.08
IUPAC NameN-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide
SMILESO=C(CF)Nc1ncn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1
InChIInChI=1S/C10H13FN4O6/c11-1-5(17)13-9-12-3-15(10(20)14-9)8-7(19)6(18)4(2-16)21-8/h3-4,6-8,16,18-19H,1-2H2,(H,13,14,17,20)/t4-,6?,7?,8-/m1/s1
InChIKeyKYAWYIPYEFPYPF-AYZDMWBASA-N
XLogP-2.84
TPSA146.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 5-2.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 67397647
4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 158812612
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 1805
4-(15N)azanyl-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-(1,3,5-15N3)1,3,5-triazin-2-one
CID 57369194
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;hydrochloride
CID 174941863
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;molecular nitrogen
CID 141254642
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 66944209
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;benzoic acid
CID 175594852
tert-butyl N-[(2S)-1-[[(2S)-1-[[5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 178073742
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,3,3-trifluoropropanamide
CID 170902536
2-[[2-[[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-oxoethoxy]methoxy]acetamide
CID 58271903
4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;[(2R,4S,5R)-3,4-diacetyloxy-5-[2-oxo-4-(trimethylsilylamino)-1,3,5-triazin-1-yl]oxolan-2-yl]methyl acetate
CID 160820498

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide?
The IUPAC name of N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide (CID 91520059) is N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide.
What is the SMILES notation for N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide?
The canonical SMILES for N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide is O=C(CF)Nc1ncn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1.
What is the InChIKey of N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide?
The InChIKey is KYAWYIPYEFPYPF-AYZDMWBASA-N. The full InChI is InChI=1S/C10H13FN4O6/c11-1-5(17)13-9-12-3-15(10(20)14-9)8-7(19)6(18)4(2-16)21-8/h3-4,6-8,16,18-19H,1-2H2,(H,13,14,17,20)/t4-,6?,7?,8-/m1/s1.
What are the key properties of N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide?
N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide has a molecular weight of 304.23 g/mol, XLogP of -2.84, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-fluoroacetamide is sourced from PubChem (CID 91520059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).