(3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol

C15H23FN6O3 — CID 155481511

IUPAC(3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol
SMILESCOC(CO)[C@@H](O)[C@@](C)(F)n1cnc2c(N(C)C3CC3)nc(N)nc21
InChIInChI=1S/C15H23FN6O3/c1-15(16,11(24)9(6-23)25-3)22-7-18-10-12(21(2)8-4-5-8)19-14(17)20-13(10)22/h7-9,11,23-24H,4-6H2,1-3H3,(H2,17,19,20)/t9?,11-,15+/m1/s1
InChIKeyDAKUYUYAONVQBF-SDBXAJCQSA-N
MW354.39 g/mol
LogP0.02
Rot. Bonds7

About (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol

(3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol (PubChem CID 155481511) has the molecular formula C15H23FN6O3 and a molecular weight of 354.39 g/mol. Its IUPAC name is (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol.

Molecular Properties

Compound Name(3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol
PubChem CID155481511
Molecular FormulaC15H23FN6O3
Molecular Weight354.39 g/mol
Exact Mass354.18
IUPAC Name(3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol
SMILESCOC(CO)[C@@H](O)[C@@](C)(F)n1cnc2c(N(C)C3CC3)nc(N)nc21
InChIInChI=1S/C15H23FN6O3/c1-15(16,11(24)9(6-23)25-3)22-7-18-10-12(21(2)8-4-5-8)19-14(17)20-13(10)22/h7-9,11,23-24H,4-6H2,1-3H3,(H2,17,19,20)/t9?,11-,15+/m1/s1
InChIKeyDAKUYUYAONVQBF-SDBXAJCQSA-N
XLogP0.02
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol?
The IUPAC name of (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol (CID 155481511) is (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol.
What is the SMILES notation for (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol?
The canonical SMILES for (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol is COC(CO)[C@@H](O)[C@@](C)(F)n1cnc2c(N(C)C3CC3)nc(N)nc21.
What is the InChIKey of (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol?
The InChIKey is DAKUYUYAONVQBF-SDBXAJCQSA-N. The full InChI is InChI=1S/C15H23FN6O3/c1-15(16,11(24)9(6-23)25-3)22-7-18-10-12(21(2)8-4-5-8)19-14(17)20-13(10)22/h7-9,11,23-24H,4-6H2,1-3H3,(H2,17,19,20)/t9?,11-,15+/m1/s1.
What are the key properties of (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol?
(3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol has a molecular weight of 354.39 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]-4-fluoro-2-methoxypentane-1,3-diol is sourced from PubChem (CID 155481511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).