methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate

C16H17FN4O6 — CID 118574874

IUPACmethyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1OC[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C16H17FN4O6/c1-7(19-14(23)12-11(18)13(22)21-16(25)20-12)6-27-9-5-3-4-8(17)10(9)15(24)26-2/h3-5,7H,6,18H2,1-2H3,(H,19,23)(H2,20,21,22,25)/t7-/m1/s1
InChIKeyROTVGDAQOFEZDT-SSDOTTSWSA-N
MW380.33 g/mol
LogP-0.23
Rot. Bonds6

About methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate

methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate (PubChem CID 118574874) has the molecular formula C16H17FN4O6 and a molecular weight of 380.33 g/mol. Its IUPAC name is methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate
PubChem CID118574874
Molecular FormulaC16H17FN4O6
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC Namemethyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1OC[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C16H17FN4O6/c1-7(19-14(23)12-11(18)13(22)21-16(25)20-12)6-27-9-5-3-4-8(17)10(9)15(24)26-2/h3-5,7H,6,18H2,1-2H3,(H,19,23)(H2,20,21,22,25)/t7-/m1/s1
InChIKeyROTVGDAQOFEZDT-SSDOTTSWSA-N
XLogP-0.23
TPSA156.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate with MolForge

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Related Compounds

5-amino-N-[1-(3-fluoro-2-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574913
5-amino-N-[1-(3-chloro-2-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574882
5-amino-N-[(2R)-1-(2-fluoro-5-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580362
5-amino-N-[1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574706
5-amino-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118580361
5-amino-N-[1-[2-chloro-4-(trifluoromethyl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574746
5-amino-N-[1-(2,4-dichloro-6-methylphenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574766
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
5-amino-N-[(2R)-1-[(2Z,4E)-3-chloro-2-methoxyhepta-2,4-dien-4-yl]oxypropan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129143503
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate?
The IUPAC name of methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate (CID 118574874) is methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate.
What is the SMILES notation for methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate?
The canonical SMILES for methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate is COC(=O)c1c(F)cccc1OC[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate?
The InChIKey is ROTVGDAQOFEZDT-SSDOTTSWSA-N. The full InChI is InChI=1S/C16H17FN4O6/c1-7(19-14(23)12-11(18)13(22)21-16(25)20-12)6-27-9-5-3-4-8(17)10(9)15(24)26-2/h3-5,7H,6,18H2,1-2H3,(H,19,23)(H2,20,21,22,25)/t7-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate?
methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate has a molecular weight of 380.33 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-[(5-amino-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propoxy]-6-fluorobenzoate is sourced from PubChem (CID 118574874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).