5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine

C32H48Cl5F3N6O13 — CID 159041986

IUPAC5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine
SMILESC.CC1C(Cl)C(=O)NC(=O)N1C1CC(F)C(CO)O1.CC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(Cl)Cl.CCO.ClCl.O=c1ccn(C2CC(F)C(CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H13Cl2FN2O4.C10H14ClFN2O4.C9H11FN2O4.C2H6O.CH4.Cl2/c1-4-10(11,12)8(17)14-9(18)15(4)7-2-5(13)6(3-16)19-7;1-4-8(11)9(16)13-10(17)14(4)7-2-5(12)6(3-15)18-7;10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15;1-2-3;;1-2/h4-7,16H,2-3H2,1H3,(H,14,17,18);4-8,15H,2-3H2,1H3,(H,13,16,17);1-2,5-6,8,13H,3-4H2,(H,11,14,15);3H,2H2,1H3;1H4;
InChIKeyJWEFJJNQBNZMFA-UHFFFAOYSA-N
MW959.02 g/mol
LogP1.69
Rot. Bonds6

About 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine

5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine (PubChem CID 159041986) has the molecular formula C32H48Cl5F3N6O13 and a molecular weight of 959.02 g/mol. Its IUPAC name is 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine.

Molecular Properties

Compound Name5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine
PubChem CID159041986
Molecular FormulaC32H48Cl5F3N6O13
Molecular Weight959.02 g/mol
Exact Mass956.17
IUPAC Name5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine
SMILESC.CC1C(Cl)C(=O)NC(=O)N1C1CC(F)C(CO)O1.CC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(Cl)Cl.CCO.ClCl.O=c1ccn(C2CC(F)C(CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H13Cl2FN2O4.C10H14ClFN2O4.C9H11FN2O4.C2H6O.CH4.Cl2/c1-4-10(11,12)8(17)14-9(18)15(4)7-2-5(13)6(3-16)19-7;1-4-8(11)9(16)13-10(17)14(4)7-2-5(12)6(3-15)18-7;10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15;1-2-3;;1-2/h4-7,16H,2-3H2,1H3,(H,14,17,18);4-8,15H,2-3H2,1H3,(H,13,16,17);1-2,5-6,8,13H,3-4H2,(H,11,14,15);3H,2H2,1H3;1H4;
InChIKeyJWEFJJNQBNZMFA-UHFFFAOYSA-N
XLogP1.69
TPSA262.29 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.02
LogP ≤ 51.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine with MolForge

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67928982
5-chloro-6-ethoxy-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 67177164
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,4R,5S)-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10989600
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10612740
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3-carbaldehyde
CID 3011752
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
1-[(2R,4S,5S,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 57113962
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine?
The IUPAC name of 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine (CID 159041986) is 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine.
What is the SMILES notation for 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine?
The canonical SMILES for 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine is C.CC1C(Cl)C(=O)NC(=O)N1C1CC(F)C(CO)O1.CC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(Cl)Cl.CCO.ClCl.O=c1ccn(C2CC(F)C(CO)O2)c(=O)[nH]1.
What is the InChIKey of 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine?
The InChIKey is JWEFJJNQBNZMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2FN2O4.C10H14ClFN2O4.C9H11FN2O4.C2H6O.CH4.Cl2/c1-4-10(11,12)8(17)14-9(18)15(4)7-2-5(13)6(3-16)19-7;1-4-8(11)9(16)13-10(17)14(4)7-2-5(12)6(3-15)18-7;10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15;1-2-3;;1-2/h4-7,16H,2-3H2,1H3,(H,14,17,18);4-8,15H,2-3H2,1H3,(H,13,16,17);1-2,5-6,8,13H,3-4H2,(H,11,14,15);3H,2H2,1H3;1H4;.
What are the key properties of 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine?
5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine has a molecular weight of 959.02 g/mol, XLogP of 1.69, 6 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;5,5-dichloro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,3-diazinane-2,4-dione;ethanol;1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methane;molecular chlorine is sourced from PubChem (CID 159041986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).