4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one

C14H20F2N4O4 — CID 70350673

IUPAC4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CN3CCCC3CO)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C14H20F2N4O4/c15-14(16)11(22)9(6-19-4-1-2-8(19)7-21)24-12(14)20-5-3-10(17)18-13(20)23/h3,5,8-9,11-12,21-22H,1-2,4,6-7H2,(H2,17,18,23)/t8?,9-,11-,12-/m1/s1
InChIKeyLOMMRXKWGWUYCZ-WADXITAESA-N
MW346.33 g/mol
LogP-0.82
Rot. Bonds4

About 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one (PubChem CID 70350673) has the molecular formula C14H20F2N4O4 and a molecular weight of 346.33 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one
PubChem CID70350673
Molecular FormulaC14H20F2N4O4
Molecular Weight346.33 g/mol
Exact Mass346.15
IUPAC Name4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CN3CCCC3CO)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C14H20F2N4O4/c15-14(16)11(22)9(6-19-4-1-2-8(19)7-21)24-12(14)20-5-3-10(17)18-13(20)23/h3,5,8-9,11-12,21-22H,1-2,4,6-7H2,(H2,17,18,23)/t8?,9-,11-,12-/m1/s1
InChIKeyLOMMRXKWGWUYCZ-WADXITAESA-N
XLogP-0.82
TPSA113.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one with MolForge

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Related Compounds

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-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
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,4R,5S)-5-(chloromethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 58364591
4-amino-1-[(2R,4R,5R)-5-[(cyclohexylmethylamino)methyl]-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 58364615
4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 70350659
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 90213479
4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 70350648
4-amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 160988595
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(3-imino-4-methanimidoylpiperidin-1-yl)methyl]oxolan-2-yl]pyrimidin-2-one
CID 123856148
4-amino-1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(prop-1-enoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 167685078

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one (CID 70350673) is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2O[C@H](CN3CCCC3CO)[C@@H](O)C2(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one?
The InChIKey is LOMMRXKWGWUYCZ-WADXITAESA-N. The full InChI is InChI=1S/C14H20F2N4O4/c15-14(16)11(22)9(6-19-4-1-2-8(19)7-21)24-12(14)20-5-3-10(17)18-13(20)23/h3,5,8-9,11-12,21-22H,1-2,4,6-7H2,(H2,17,18,23)/t8?,9-,11-,12-/m1/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one has a molecular weight of 346.33 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 70350673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).