(2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C10H15FN4O3 — CID 156571213

IUPAC(2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c1N
InChIInChI=1S/C10H15FN4O3/c1-4-7(12)9(14-3-13-4)15-10-6(11)8(17)5(2-16)18-10/h3,5-6,8,10,16-17H,2,12H2,1H3,(H,13,14,15)/t5-,6-,8-,10-/m1/s1
InChIKeyPPPQCMQBGCPRAB-LTNPLRIYSA-N
MW258.25 g/mol
LogP-0.80
Rot. Bonds3

About (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 156571213) has the molecular formula C10H15FN4O3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID156571213
Molecular FormulaC10H15FN4O3
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name(2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c1N
InChIInChI=1S/C10H15FN4O3/c1-4-7(12)9(14-3-13-4)15-10-6(11)8(17)5(2-16)18-10/h3,5-6,8,10,16-17H,2,12H2,1H3,(H,13,14,15)/t5-,6-,8-,10-/m1/s1
InChIKeyPPPQCMQBGCPRAB-LTNPLRIYSA-N
XLogP-0.80
TPSA113.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 156571213) is (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is Cc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c1N.
What is the InChIKey of (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is PPPQCMQBGCPRAB-LTNPLRIYSA-N. The full InChI is InChI=1S/C10H15FN4O3/c1-4-7(12)9(14-3-13-4)15-10-6(11)8(17)5(2-16)18-10/h3,5-6,8,10,16-17H,2,12H2,1H3,(H,13,14,15)/t5-,6-,8-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 258.25 g/mol, XLogP of -0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[(5-amino-6-methylpyrimidin-4-yl)amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 156571213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).