[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol

C10H13F2N3O2 — CID 118682794

IUPAC[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)CC1(F)F
InChIInChI=1S/C10H13F2N3O2/c1-6-14-8(13)2-3-15(6)9-10(11,12)4-7(5-16)17-9/h2-3,7,9,16H,1,4-5H2,(H2,13,14)/t7-,9+/m0/s1
InChIKeyBKMABVVUQIIJDK-IONNQARKSA-N
MW245.23 g/mol
LogP0.39
Rot. Bonds2

About [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol

[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol (PubChem CID 118682794) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol
PubChem CID118682794
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol
SMILESC=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)CC1(F)F
InChIInChI=1S/C10H13F2N3O2/c1-6-14-8(13)2-3-15(6)9-10(11,12)4-7(5-16)17-9/h2-3,7,9,16H,1,4-5H2,(H2,13,14)/t7-,9+/m0/s1
InChIKeyBKMABVVUQIIJDK-IONNQARKSA-N
XLogP0.39
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 157058662
(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 174069397
[(2S,5S)-5-(4-amino-3aH-triazolo[4,5-d]pyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol
CID 56980282
4-amino-1-[(5S)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 134312316
[(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl propan-2-yl carbonate
CID 174097508
[(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,4R,5R)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 161273709
19-[[(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy]-19-oxononadecanoate
CID 159881033
19-[[(2R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-3-(18-carboxyoctadecanoyloxy)-4,4-difluorooxolan-2-yl]methoxy]-19-oxononadecanoic acid
CID 121338706
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
[[(2R,3R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 118013005
3-[(2S,5S)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-1H-1,3-diazepin-2-one
CID 126662652

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol (CID 118682794) is [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol is C=C1N=C(N)C=CN1[C@@H]1O[C@H](CO)CC1(F)F.
What is the InChIKey of [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol?
The InChIKey is BKMABVVUQIIJDK-IONNQARKSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-6-14-8(13)2-3-15(6)9-10(11,12)4-7(5-16)17-9/h2-3,7,9,16H,1,4-5H2,(H2,13,14)/t7-,9+/m0/s1.
What are the key properties of [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol?
[(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol has a molecular weight of 245.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluorooxolan-2-yl]methanol is sourced from PubChem (CID 118682794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).