4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one

C15H25FN4O5 — CID 163875942

IUPAC4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC(C)C(N)C(O)OC1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(C)F
InChIInChI=1S/C15H25FN4O5/c1-7(2)10(18)12(22)25-11-8(6-21)24-13(15(11,3)16)20-5-4-9(17)19-14(20)23/h4-5,7-8,10-13,21-22H,6,18H2,1-3H3,(H2,17,19,23)/t8-,10?,11?,12?,13-,15?/m1/s1
InChIKeyPOVSWPIWLFIKEO-ATSPUTDMSA-N
MW360.39 g/mol
LogP-0.87
Rot. Bonds6

About 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 163875942) has the molecular formula C15H25FN4O5 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID163875942
Molecular FormulaC15H25FN4O5
Molecular Weight360.39 g/mol
Exact Mass360.18
IUPAC Name4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC(C)C(N)C(O)OC1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(C)F
InChIInChI=1S/C15H25FN4O5/c1-7(2)10(18)12(22)25-11-8(6-21)24-13(15(11,3)16)20-5-4-9(17)19-14(20)23/h4-5,7-8,10-13,21-22H,6,18H2,1-3H3,(H2,17,19,23)/t8-,10?,11?,12?,13-,15?/m1/s1
InChIKeyPOVSWPIWLFIKEO-ATSPUTDMSA-N
XLogP-0.87
TPSA145.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one 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

4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-amino-1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 66576269
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635
potassium;4-amino-1-[(4S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;carbanide
CID 156727396
4-amino-1-[(2R,3R,4R,5R)-3-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 24885222
4-amino-1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one;hydroxylamine;methane;hydrochloride
CID 159956705
4-amino-1-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-isocyano-3-methyloxolan-2-yl]pyrimidin-2-one
CID 123230624
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 23725124
[(2S,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methylphosphonic acid
CID 24750913

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one (CID 163875942) is 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one is CC(C)C(N)C(O)OC1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(C)F.
What is the InChIKey of 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is POVSWPIWLFIKEO-ATSPUTDMSA-N. The full InChI is InChI=1S/C15H25FN4O5/c1-7(2)10(18)12(22)25-11-8(6-21)24-13(15(11,3)16)20-5-4-9(17)19-14(20)23/h4-5,7-8,10-13,21-22H,6,18H2,1-3H3,(H2,17,19,23)/t8-,10?,11?,12?,13-,15?/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 360.39 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-4-(2-amino-1-hydroxy-3-methylbutoxy)-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 163875942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).