1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one

C17H19F2N4O7P — CID 164942902

IUPAC1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one
SMILESO=c1nc(NP2(=O)OCCC(c3cccnc3)O2)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F
InChIInChI=1S/C17H19F2N4O7P/c18-17(19)14(25)12(9-24)29-15(17)23-6-3-13(21-16(23)26)22-31(27)28-7-4-11(30-31)10-2-1-5-20-8-10/h1-3,5-6,8,11-12,14-15,24-25H,4,7,9H2,(H,21,22,26,27)/t11?,12-,14+,15-,31?/m1/s1
InChIKeyVIKCEQIWPXXDFW-HWNMSATNSA-N
MW460.33 g/mol
LogP1.22
Rot. Bonds5

About 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one

1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one (PubChem CID 164942902) has the molecular formula C17H19F2N4O7P and a molecular weight of 460.33 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one
PubChem CID164942902
Molecular FormulaC17H19F2N4O7P
Molecular Weight460.33 g/mol
Exact Mass460.10
IUPAC Name1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one
SMILESO=c1nc(NP2(=O)OCCC(c3cccnc3)O2)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F
InChIInChI=1S/C17H19F2N4O7P/c18-17(19)14(25)12(9-24)29-15(17)23-6-3-13(21-16(23)26)22-31(27)28-7-4-11(30-31)10-2-1-5-20-8-10/h1-3,5-6,8,11-12,14-15,24-25H,4,7,9H2,(H,21,22,26,27)/t11?,12-,14+,15-,31?/m1/s1
InChIKeyVIKCEQIWPXXDFW-HWNMSATNSA-N
XLogP1.22
TPSA145.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]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

1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[4-(4-methoxyphenyl)-2-oxo-1,3,2λ5-dioxaphospholan-2-yl]amino]pyrimidin-2-one
CID 166059881
ethyl (2S)-2-[[(2R,3S,5R)-5-[4-[[4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]oxypropanoate
CID 164942900
1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(propan-2-ylamino)pyrimidin-2-one
CID 126624703
1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 162572157
N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 59567436
phenyl N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 58957859
1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-4-[(2-oxo-4-phenyl-1,3-dioxa-2λ5-phosphacycloundec-2-yl)amino]pyrimidin-2-one
CID 142664759
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
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
N-[1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]pentanamide
CID 90349168
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methylpyridine-3-carboxamide
CID 151650088

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one?
The IUPAC name of 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one (CID 164942902) is 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one.
What is the SMILES notation for 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one?
The canonical SMILES for 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one is O=c1nc(NP2(=O)OCCC(c3cccnc3)O2)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1(F)F.
What is the InChIKey of 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one?
The InChIKey is VIKCEQIWPXXDFW-HWNMSATNSA-N. The full InChI is InChI=1S/C17H19F2N4O7P/c18-17(19)14(25)12(9-24)29-15(17)23-6-3-13(21-16(23)26)22-31(27)28-7-4-11(30-31)10-2-1-5-20-8-10/h1-3,5-6,8,11-12,14-15,24-25H,4,7,9H2,(H,21,22,26,27)/t11?,12-,14+,15-,31?/m1/s1.
What are the key properties of 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one?
1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one has a molecular weight of 460.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-oxo-4-pyridin-3-yl-1,3,2λ5-dioxaphosphinan-2-yl)amino]pyrimidin-2-one is sourced from PubChem (CID 164942902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).