5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol

C13H16FN5O3 — CID 175978301

IUPAC5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCC1(F)C(O)C(CO)OC1n1cnc(-c2cncnc2N)c1
InChIInChI=1S/C13H16FN5O3/c1-13(14)10(21)9(4-20)22-12(13)19-3-8(18-6-19)7-2-16-5-17-11(7)15/h2-3,5-6,9-10,12,20-21H,4H2,1H3,(H2,15,16,17)
InChIKeyHULZGYSAQAMIML-UHFFFAOYSA-N
MW309.30 g/mol
LogP-0.10
Rot. Bonds3

About 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol

5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol (PubChem CID 175978301) has the molecular formula C13H16FN5O3 and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
PubChem CID175978301
Molecular FormulaC13H16FN5O3
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC Name5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
SMILESCC1(F)C(O)C(CO)OC1n1cnc(-c2cncnc2N)c1
InChIInChI=1S/C13H16FN5O3/c1-13(14)10(21)9(4-20)22-12(13)19-3-8(18-6-19)7-2-16-5-17-11(7)15/h2-3,5-6,9-10,12,20-21H,4H2,1H3,(H2,15,16,17)
InChIKeyHULZGYSAQAMIML-UHFFFAOYSA-N
XLogP-0.10
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4R,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 175978304
(2R,3R,4R,5R)-5-[4-(2,4-diaminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 175978303
(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 102307356
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 73009197
(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90799611
(2R,3R,4R,5S)-5-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 70927184
(2R,3R,4R,5S)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 126970527
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
(3R,4R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58460922
(2R,3S,4R,5S)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-azido-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 173482500
(2R,3R,5R)-5-(6-aminopurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 11644920
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The IUPAC name of 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol (CID 175978301) is 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The canonical SMILES for 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol is CC1(F)C(O)C(CO)OC1n1cnc(-c2cncnc2N)c1.
What is the InChIKey of 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
The InChIKey is HULZGYSAQAMIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O3/c1-13(14)10(21)9(4-20)22-12(13)19-3-8(18-6-19)7-2-16-5-17-11(7)15/h2-3,5-6,9-10,12,20-21H,4H2,1H3,(H2,15,16,17).
What are the key properties of 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol?
5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol has a molecular weight of 309.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 175978301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).