(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol

C10H13F2N3O3 — CID 157058662

IUPAC(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESC=C1N=C(N)C=CN1[C@@H]1OC(CO)C(O)C1(F)F
InChIInChI=1S/C10H13F2N3O3/c1-5-14-7(13)2-3-15(5)9-10(11,12)8(17)6(4-16)18-9/h2-3,6,8-9,16-17H,1,4H2,(H2,13,14)/t6?,8?,9-/m1/s1
InChIKeyIGTUUCBCIMYHSC-KPIFQKDSSA-N
MW261.23 g/mol
LogP-0.64
Rot. Bonds2

About (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol

(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 157058662) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID157058662
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Name(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESC=C1N=C(N)C=CN1[C@@H]1OC(CO)C(O)C1(F)F
InChIInChI=1S/C10H13F2N3O3/c1-5-14-7(13)2-3-15(5)9-10(11,12)8(17)6(4-16)18-9/h2-3,6,8-9,16-17H,1,4H2,(H2,13,14)/t6?,8?,9-/m1/s1
InChIKeyIGTUUCBCIMYHSC-KPIFQKDSSA-N
XLogP-0.64
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 174069397
[(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl propan-2-yl carbonate
CID 174097508
3-[1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 167706391
19-[[(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-19-oxononadecanoate
CID 159881033
[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol
CID 118682794
(2R,4R,5R)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 161273709
[(2R,3S)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
CID 126627878
19-[[(2R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-(18-carboxyoctadecanoyloxy)-4,4-difluorooxolan-2-yl]methoxy]-19-oxononadecanoic acid
CID 121338706
[(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 90178721
[[(2R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 165157482
6-amino-3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-trimethylsilyl-1H-pyrimidin-2-one
CID 152781328
3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 162572960

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol (CID 157058662) is (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol is C=C1N=C(N)C=CN1[C@@H]1OC(CO)C(O)C1(F)F.
What is the InChIKey of (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is IGTUUCBCIMYHSC-KPIFQKDSSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c1-5-14-7(13)2-3-15(5)9-10(11,12)8(17)6(4-16)18-9/h2-3,6,8-9,16-17H,1,4H2,(H2,13,14)/t6?,8?,9-/m1/s1.
What are the key properties of (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol?
(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 261.23 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 157058662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).