4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol

C12H19F2N3O4 — CID 162590302

IUPAC4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol
SMILESCCC1=CN([C@@H]2O[C@H]([C@H](C)O)[C@@H](O)C2(F)F)C(O)N=C1N
InChIInChI=1S/C12H19F2N3O4/c1-3-6-4-17(11(20)16-9(6)15)10-12(13,14)8(19)7(21-10)5(2)18/h4-5,7-8,10-11,18-20H,3H2,1-2H3,(H2,15,16)/t5-,7+,8+,10+,11?/m0/s1
InChIKeyBMPYZOYDATVFAM-QZORACOZSA-N
MW307.30 g/mol
LogP-0.67
Rot. Bonds3

About 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol

4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol (PubChem CID 162590302) has the molecular formula C12H19F2N3O4 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol
PubChem CID162590302
Molecular FormulaC12H19F2N3O4
Molecular Weight307.30 g/mol
Exact Mass307.13
IUPAC Name4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol
SMILESCCC1=CN([C@@H]2O[C@H]([C@H](C)O)[C@@H](O)C2(F)F)C(O)N=C1N
InChIInChI=1S/C12H19F2N3O4/c1-3-6-4-17(11(20)16-9(6)15)10-12(13,14)8(19)7(21-10)5(2)18/h4-5,7-8,10-11,18-20H,3H2,1-2H3,(H2,15,16)/t5-,7+,8+,10+,11?/m0/s1
InChIKeyBMPYZOYDATVFAM-QZORACOZSA-N
XLogP-0.67
TPSA111.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol 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-5-[(Z)-2-fluoroethenyl]-1-[3,3,4-trifluoro-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrimidin-2-ol
CID 162578926
2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol
CID 90881402
(2R,5R)-5-(2-aminopurin-9-yl)-4-ethynyl-4-fluoro-2-[(1S)-1-hydroxyethyl]oxolan-3-ol
CID 145393388
5-amino-2-[(2R,5R)-3-ethynyl-3-fluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-1,2,4-triazin-3-one
CID 145393404
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59504127
(2R,3R,4S,5R)-2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolane-2-carbonitrile
CID 138722028
6-amino-3-[(2R,4S,5R)-3-ethynyl-3-fluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-fluoro-1,6-dihydropyrimidin-2-one
CID 145393166
[(2R,3R,5R)-2-(1-acetyloxyethyl)-5-[2,4-dioxo-5-(2-trimethylsilylethynyl)pyrimidin-1-yl]-4,4-difluorooxolan-3-yl] acetate;1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
CID 160617465
1-[(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]ethyl acetate
CID 46916840
2-(5-amino-8-oxa-2,6-diazabicyclo[5.1.0]octa-3,5-dien-2-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol
CID 91126286
1-[(2R,3R,5R)-3-ethynyl-3-fluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-1,3,5-triazine-2,4-dione
CID 167374815
4-amino-1,5-di(propan-2-yl)-2H-pyrimidin-2-ol
CID 166697365

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol (CID 162590302) is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol is CCC1=CN([C@@H]2O[C@H]([C@H](C)O)[C@@H](O)C2(F)F)C(O)N=C1N.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol?
The InChIKey is BMPYZOYDATVFAM-QZORACOZSA-N. The full InChI is InChI=1S/C12H19F2N3O4/c1-3-6-4-17(11(20)16-9(6)15)10-12(13,14)8(19)7(21-10)5(2)18/h4-5,7-8,10-11,18-20H,3H2,1-2H3,(H2,15,16)/t5-,7+,8+,10+,11?/m0/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol?
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol has a molecular weight of 307.30 g/mol, XLogP of -0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-ethyl-2H-pyrimidin-2-ol is sourced from PubChem (CID 162590302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).