2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate

C35H43F4N15O17 — CID 160921907

IUPAC2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate
SMILESCC(C)NC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O.COC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O.NC(O)CC(=O)n1cc(F)c(=O)[nH]c1=O.NNC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN4O4.C9H10FN3O5.C8H10FN5O4.C7H8FN3O4/c1-5(2)14-10(19)7(13)3-8(17)16-4-6(12)9(18)15-11(16)20;1-18-8(16)5(11)2-6(14)13-3-4(10)7(15)12-9(13)17;9-3-2-14(8(18)12-6(3)16)5(15)1-4(10)7(17)13-11;8-3-2-11(5(13)1-4(9)12)7(15)10-6(3)14/h4-5,7H,3,13H2,1-2H3,(H,14,19)(H,15,18,20);3,5H,2,11H2,1H3,(H,12,15,17);2,4H,1,10-11H2,(H,13,17)(H,12,16,18);2,4,12H,1,9H2,(H,10,14,15)
InChIKeySSDIOSXIMMIIMK-UHFFFAOYSA-N
MW1021.81 g/mol
LogP-8.23
Rot. Bonds12

About 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate

2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate (PubChem CID 160921907) has the molecular formula C35H43F4N15O17 and a molecular weight of 1021.81 g/mol. Its IUPAC name is 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Name2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate
PubChem CID160921907
Molecular FormulaC35H43F4N15O17
Molecular Weight1021.81 g/mol
Exact Mass1021.29
IUPAC Name2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate
SMILESCC(C)NC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O.COC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O.NC(O)CC(=O)n1cc(F)c(=O)[nH]c1=O.NNC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN4O4.C9H10FN3O5.C8H10FN5O4.C7H8FN3O4/c1-5(2)14-10(19)7(13)3-8(17)16-4-6(12)9(18)15-11(16)20;1-18-8(16)5(11)2-6(14)13-3-4(10)7(15)12-9(13)17;9-3-2-14(8(18)12-6(3)16)5(15)1-4(10)7(17)13-11;8-3-2-11(5(13)1-4(9)12)7(15)10-6(3)14/h4-5,7H,3,13H2,1-2H3,(H,14,19)(H,15,18,20);3,5H,2,11H2,1H3,(H,12,15,17);2,4H,1,10-11H2,(H,13,17)(H,12,16,18);2,4,12H,1,9H2,(H,10,14,15)
InChIKeySSDIOSXIMMIIMK-UHFFFAOYSA-N
XLogP-8.23
TPSA522.55 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.81
LogP ≤ 5-8.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate with MolForge

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Related Compounds

5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
CID 14451336
ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 145209845
ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
CID 175007671
(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate
CID 174630009
5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
CID 68650560
1-(5-bromopentanoyl)-5-fluoropyrimidine-2,4-dione
CID 125478680
[6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
CID 169034515
5-fluoro-N-(3-methoxycyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
CID 10803042
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 70515654
(5-fluoro-2,4-dioxopyrimidin-1-yl)methylurea
CID 70581549
N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10830193

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate?
The IUPAC name of 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate (CID 160921907) is 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate?
The canonical SMILES for 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate is CC(C)NC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O.COC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O.NC(O)CC(=O)n1cc(F)c(=O)[nH]c1=O.NNC(=O)C(N)CC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate?
The InChIKey is SSDIOSXIMMIIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O4.C9H10FN3O5.C8H10FN5O4.C7H8FN3O4/c1-5(2)14-10(19)7(13)3-8(17)16-4-6(12)9(18)15-11(16)20;1-18-8(16)5(11)2-6(14)13-3-4(10)7(15)12-9(13)17;9-3-2-14(8(18)12-6(3)16)5(15)1-4(10)7(17)13-11;8-3-2-11(5(13)1-4(9)12)7(15)10-6(3)14/h4-5,7H,3,13H2,1-2H3,(H,14,19)(H,15,18,20);3,5H,2,11H2,1H3,(H,12,15,17);2,4H,1,10-11H2,(H,13,17)(H,12,16,18);2,4,12H,1,9H2,(H,10,14,15).
What are the key properties of 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate?
2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate has a molecular weight of 1021.81 g/mol, XLogP of -8.23, 12 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanehydrazide;2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxo-N-propan-2-ylbutanamide;1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione;methyl 2-amino-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 160921907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).