N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane

C37H46F4I2N8O12 — CID 158459865

IUPACN-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane
SMILESC.C.Cn1c(=O)c(C(=O)NOCC2COC(C)(C)O2)c(Nc2ccc(I)cc2F)n(CF)c1=O.Cn1c(=O)c(C(=O)NOC[C@H](O)CO)c(Nc2ccc(I)cc2F)n(CF)c1=O
InChIInChI=1S/C19H21F2IN4O6.C16H17F2IN4O6.2CH4/c1-19(2)30-7-11(32-19)8-31-24-16(27)14-15(23-13-5-4-10(22)6-12(13)21)26(9-20)18(29)25(3)17(14)28;1-22-15(27)12(14(26)21-29-6-9(25)5-24)13(23(7-17)16(22)28)20-11-3-2-8(19)4-10(11)18;;/h4-6,11,23H,7-9H2,1-3H3,(H,24,27);2-4,9,20,24-25H,5-7H2,1H3,(H,21,26);2*1H4/t;9-;;/m.1../s1
InChIKeyHFANCNYIYIXASD-SBTMYENZSA-N
MW1124.62 g/mol
LogP3.02
Rot. Bonds15

About N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane

N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane (PubChem CID 158459865) has the molecular formula C37H46F4I2N8O12 and a molecular weight of 1124.62 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane
PubChem CID158459865
Molecular FormulaC37H46F4I2N8O12
Molecular Weight1124.62 g/mol
Exact Mass1124.13
IUPAC NameN-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane
SMILESC.C.Cn1c(=O)c(C(=O)NOCC2COC(C)(C)O2)c(Nc2ccc(I)cc2F)n(CF)c1=O.Cn1c(=O)c(C(=O)NOC[C@H](O)CO)c(Nc2ccc(I)cc2F)n(CF)c1=O
InChIInChI=1S/C19H21F2IN4O6.C16H17F2IN4O6.2CH4/c1-19(2)30-7-11(32-19)8-31-24-16(27)14-15(23-13-5-4-10(22)6-12(13)21)26(9-20)18(29)25(3)17(14)28;1-22-15(27)12(14(26)21-29-6-9(25)5-24)13(23(7-17)16(22)28)20-11-3-2-8(19)4-10(11)18;;/h4-6,11,23H,7-9H2,1-3H3,(H,24,27);2-4,9,20,24-25H,5-7H2,1H3,(H,21,26);2*1H4/t;9-;;/m.1../s1
InChIKeyHFANCNYIYIXASD-SBTMYENZSA-N
XLogP3.02
TPSA247.64 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001124.62
LogP ≤ 53.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane with MolForge

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Related Compounds

N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 159116067
N-[(3S)-3,4-dihydroxybutoxy]-4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 25108961
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 146585149
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
5-chloro-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-7-(2-fluoro-4-iodoanilino)pyrrolo[1,2-c]pyrimidine-6-carboxamide
CID 86761944
5-acetyl-N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74402613
N-[(2R)-2,4-dihydroxybutoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-7-oxo-5,6-dihydro-4H-indole-3-carboxamide
CID 25124822
[2-[4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 25109799
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxamide
CID 59704718
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 67523092
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxy]-2-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 162713257
N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-oxo-2,3-dihydroisoindole-5-carboxamide
CID 45107546

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane?
The IUPAC name of N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane (CID 158459865) is N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane is C.C.Cn1c(=O)c(C(=O)NOCC2COC(C)(C)O2)c(Nc2ccc(I)cc2F)n(CF)c1=O.Cn1c(=O)c(C(=O)NOC[C@H](O)CO)c(Nc2ccc(I)cc2F)n(CF)c1=O.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane?
The InChIKey is HFANCNYIYIXASD-SBTMYENZSA-N. The full InChI is InChI=1S/C19H21F2IN4O6.C16H17F2IN4O6.2CH4/c1-19(2)30-7-11(32-19)8-31-24-16(27)14-15(23-13-5-4-10(22)6-12(13)21)26(9-20)18(29)25(3)17(14)28;1-22-15(27)12(14(26)21-29-6-9(25)5-24)13(23(7-17)16(22)28)20-11-3-2-8(19)4-10(11)18;;/h4-6,11,23H,7-9H2,1-3H3,(H,24,27);2-4,9,20,24-25H,5-7H2,1H3,(H,21,26);2*1H4/t;9-;;/m.1../s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane?
N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane has a molecular weight of 1124.62 g/mol, XLogP of 3.02, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;methane is sourced from PubChem (CID 158459865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).